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

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Ellipticine
CID 3213
(-)-Agroclavine
CID 73484
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

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).