2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol

C17H24N2O — CID 107236127

IUPAC2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
SMILESCn1cc(CNC2CCCCCC2O)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-19-12-13(14-7-5-6-9-16(14)19)11-18-15-8-3-2-4-10-17(15)20/h5-7,9,12,15,17-18,20H,2-4,8,10-11H2,1H3
InChIKeyYYHQBUTYNLNAHY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.96
Rot. Bonds3

About 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol

2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol (PubChem CID 107236127) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
PubChem CID107236127
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
SMILESCn1cc(CNC2CCCCCC2O)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-19-12-13(14-7-5-6-9-16(14)19)11-18-15-8-3-2-4-10-17(15)20/h5-7,9,12,15,17-18,20H,2-4,8,10-11H2,1H3
InChIKeyYYHQBUTYNLNAHY-UHFFFAOYSA-N
XLogP2.96
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol 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

1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
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
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid
CID 175725575
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol (CID 107236127) is 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol is Cn1cc(CNC2CCCCCC2O)c2ccccc21.
What is the InChIKey of 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol?
The InChIKey is YYHQBUTYNLNAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19-12-13(14-7-5-6-9-16(14)19)11-18-15-8-3-2-4-10-17(15)20/h5-7,9,12,15,17-18,20H,2-4,8,10-11H2,1H3.
What are the key properties of 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol?
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 107236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).