1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine

C15H21N3 — CID 115117392

IUPAC1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
SMILESCn1cc(CNC2CCCC2N)c2ccccc21
InChIInChI=1S/C15H21N3/c1-18-10-11(12-5-2-3-8-15(12)18)9-17-14-7-4-6-13(14)16/h2-3,5,8,10,13-14,17H,4,6-7,9,16H2,1H3
InChIKeyXQEPTQQMWDTXOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.15
Rot. Bonds3

About 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine

1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine (PubChem CID 115117392) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
PubChem CID115117392
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
SMILESCn1cc(CNC2CCCC2N)c2ccccc21
InChIInChI=1S/C15H21N3/c1-18-10-11(12-5-2-3-8-15(12)18)9-17-14-7-4-6-13(14)16/h2-3,5,8,10,13-14,17H,4,6-7,9,16H2,1H3
InChIKeyXQEPTQQMWDTXOF-UHFFFAOYSA-N
XLogP2.15
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride
CID 146117872
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine (CID 115117392) is 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine is Cn1cc(CNC2CCCC2N)c2ccccc21.
What is the InChIKey of 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine?
The InChIKey is XQEPTQQMWDTXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-10-11(12-5-2-3-8-15(12)18)9-17-14-7-4-6-13(14)16/h2-3,5,8,10,13-14,17H,4,6-7,9,16H2,1H3.
What are the key properties of 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine?
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).