Chemical Components in the PDB

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EU7 : Summary

Code

EU7

One-letter code

X

Molecule name

(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine
OpenEye OEToolkits 2.0.6 (1~{S})-1-(1-adamantyl)ethanamine

Formula

C12 H21 N

Formal charge

0

Molecular weight

179.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC(N)C12CC3CC(C1)CC(C2)C3
SMILES CACTVS 3.385 C[CH](N)C12CC3CC(CC(C3)C1)C2
SMILES OpenEye OEToolkits 2.0.6 CC(C12CC3CC(C1)CC(C3)C2)N
Canonical SMILES CACTVS 3.385 C[C@H](N)C12CC3CC(CC(C3)C1)C2
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H](C12CC3CC(C1)CC(C3)C2)N

IUPAC InChI

InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m0/s1

IUPAC InChI key

UBCHPRBFMUDMNC-SVNGYHJRSA-N
EU7

wwPDB Information

Atom count

34 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-31

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned