N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine

C16H22N2 — CID 730156

IUPACN-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine
SMILESCN(Cc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C16H22N2/c1-18(14-7-3-2-4-8-14)12-13-11-17-16-10-6-5-9-15(13)16/h5-6,9-11,14,17H,2-4,7-8,12H2,1H3
InChIKeyXOXQJWBXMAGITH-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.93
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine

N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine (PubChem CID 730156) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine
PubChem CID730156
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine
SMILESCN(Cc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C16H22N2/c1-18(14-7-3-2-4-8-14)12-13-11-17-16-10-6-5-9-15(13)16/h5-6,9-11,14,17H,2-4,7-8,12H2,1H3
InChIKeyXOXQJWBXMAGITH-UHFFFAOYSA-N
XLogP3.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
(+)-Lysergic acid diethylamide
CID 5761
Tryptamine
CID 1150
Sumatriptan
CID 5358
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Lisuride
CID 28864
Almotriptan
CID 123606
3,3'-Diindolylmethane
CID 3071

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine (CID 730156) is N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine is CN(Cc1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine?
The InChIKey is XOXQJWBXMAGITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-18(14-7-3-2-4-8-14)12-13-11-17-16-10-6-5-9-15(13)16/h5-6,9-11,14,17H,2-4,7-8,12H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine?
N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine has a molecular weight of 242.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-methylcyclohexanamine is sourced from PubChem (CID 730156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).