N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine

C16H22N2 — CID 107411513

IUPACN-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H22N2/c1-12-2-3-13(8-12)10-17-11-14-4-5-15-6-7-18-16(15)9-14/h4-7,9,12-13,17-18H,2-3,8,10-11H2,1H3
InChIKeyVANPOLHNDKNCIE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.69
Rot. Bonds4

About N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine

N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411513) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
PubChem CID107411513
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C16H22N2/c1-12-2-3-13(8-12)10-17-11-14-4-5-15-6-7-18-16(15)9-14/h4-7,9,12-13,17-18H,2-3,8,10-11H2,1H3
InChIKeyVANPOLHNDKNCIE-UHFFFAOYSA-N
XLogP3.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232
N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
CID 102911023
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
2,2-dicyclopropyl-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911260
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911465
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine (CID 107411513) is N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
The InChIKey is VANPOLHNDKNCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-2-3-13(8-12)10-17-11-14-4-5-15-6-7-18-16(15)9-14/h4-7,9,12-13,17-18H,2-3,8,10-11H2,1H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine?
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).