N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine

C18H26N2 — CID 43078302

IUPACN-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCCn2ccc3ccccc32)C1
InChIInChI=1S/C18H26N2/c1-15-6-4-8-17(14-15)19-11-5-12-20-13-10-16-7-2-3-9-18(16)20/h2-3,7,9-10,13,15,17,19H,4-6,8,11-12,14H2,1H3
InChIKeyVBBZMKXZVHKSLO-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.20
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine

N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine (PubChem CID 43078302) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
PubChem CID43078302
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCCn2ccc3ccccc32)C1
InChIInChI=1S/C18H26N2/c1-15-6-4-8-17(14-15)19-11-5-12-20-13-10-16-7-2-3-9-18(16)20/h2-3,7,9-10,13,15,17,19H,4-6,8,11-12,14H2,1H3
InChIKeyVBBZMKXZVHKSLO-UHFFFAOYSA-N
XLogP4.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine (CID 43078302) is N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine is CC1CCCC(NCCCn2ccc3ccccc32)C1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine?
The InChIKey is VBBZMKXZVHKSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-15-6-4-8-17(14-15)19-11-5-12-20-13-10-16-7-2-3-9-18(16)20/h2-3,7,9-10,13,15,17,19H,4-6,8,11-12,14H2,1H3.
What are the key properties of N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine?
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).