N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine

C16H22N2 — CID 62999891

IUPACN-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H22N2/c1-12-5-2-3-7-15(12)18-11-13-6-4-8-16-14(13)9-10-17-16/h4,6,8-10,12,15,17-18H,2-3,5,7,11H2,1H3
InChIKeyAYFUUXIUUCYSSZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.84
Rot. Bonds3

About N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine

N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine (PubChem CID 62999891) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
PubChem CID62999891
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H22N2/c1-12-5-2-3-7-15(12)18-11-13-6-4-8-16-14(13)9-10-17-16/h4,6,8-10,12,15,17-18H,2-3,5,7,11H2,1H3
InChIKeyAYFUUXIUUCYSSZ-UHFFFAOYSA-N
XLogP3.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
(3S,4S)-N-(1H-indol-4-ylmethyl)-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780799
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
CID 113346334
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373
cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097541
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine (CID 62999891) is N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine?
The InChIKey is AYFUUXIUUCYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-5-2-3-7-15(12)18-11-13-6-4-8-16-14(13)9-10-17-16/h4,6,8-10,12,15,17-18H,2-3,5,7,11H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine?
N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 62999891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).