2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile

C15H17N3 — CID 102910834

IUPAC2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H17N3/c16-9-13-2-1-3-14(13)18-10-11-4-5-15-12(8-11)6-7-17-15/h4-8,13-14,17-18H,1-3,10H2
InChIKeyWHLXJOIHYGHSCJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.95
Rot. Bonds3

About 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile

2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile (PubChem CID 102910834) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
PubChem CID102910834
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H17N3/c16-9-13-2-1-3-14(13)18-10-11-4-5-15-12(8-11)6-7-17-15/h4-8,13-14,17-18H,1-3,10H2
InChIKeyWHLXJOIHYGHSCJ-UHFFFAOYSA-N
XLogP2.95
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 65021627
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]cyclopentane-1-carbonitrile
CID 62963122
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile (CID 102910834) is 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile?
The InChIKey is WHLXJOIHYGHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-9-13-2-1-3-14(13)18-10-11-4-5-15-12(8-11)6-7-17-15/h4-8,13-14,17-18H,1-3,10H2.
What are the key properties of 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile?
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 102910834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).