N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine

C18H26N2 — CID 102911023

IUPACN-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
SMILESCC1CCC(CCNCc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C18H26N2/c1-14-2-4-15(5-3-14)8-10-19-13-16-6-7-17-9-11-20-18(17)12-16/h6-7,9,11-12,14-15,19-20H,2-5,8,10,13H2,1H3
InChIKeyCYDFYZZCDNXIST-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.47
Rot. Bonds5

About N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine

N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine (PubChem CID 102911023) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
PubChem CID102911023
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
SMILESCC1CCC(CCNCc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C18H26N2/c1-14-2-4-15(5-3-14)8-10-19-13-16-6-7-17-9-11-20-18(17)12-16/h6-7,9,11-12,14-15,19-20H,2-5,8,10,13H2,1H3
InChIKeyCYDFYZZCDNXIST-UHFFFAOYSA-N
XLogP4.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indole
CID 798
Skatole
CID 6736
(+)-Lysergic acid diethylamide
CID 5761
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Pergolide
CID 47811
Lysergic acid amide
CID 442072
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine (CID 102911023) is N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine is CC1CCC(CCNCc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine?
The InChIKey is CYDFYZZCDNXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14-2-4-15(5-3-14)8-10-19-13-16-6-7-17-9-11-20-18(17)12-16/h6-7,9,11-12,14-15,19-20H,2-5,8,10,13H2,1H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine?
N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.47, 5 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)-2-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 102911023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).