2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine

C16H30N2 — CID 143116473

IUPAC2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine
SMILESCCC(N)C1=C(NC2CCCCC2)CCC(C)C1
InChIInChI=1S/C16H30N2/c1-3-15(17)14-11-12(2)9-10-16(14)18-13-7-5-4-6-8-13/h12-13,15,18H,3-11,17H2,1-2H3
InChIKeyLXLHZPQLPFPCBI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.72
Rot. Bonds4

About 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine

2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine (PubChem CID 143116473) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine
PubChem CID143116473
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine
SMILESCCC(N)C1=C(NC2CCCCC2)CCC(C)C1
InChIInChI=1S/C16H30N2/c1-3-15(17)14-11-12(2)9-10-16(14)18-13-7-5-4-6-8-13/h12-13,15,18H,3-11,17H2,1-2H3
InChIKeyLXLHZPQLPFPCBI-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine?
The IUPAC name of 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine (CID 143116473) is 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine.
What is the SMILES notation for 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine?
The canonical SMILES for 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine is CCC(N)C1=C(NC2CCCCC2)CCC(C)C1.
What is the InChIKey of 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine?
The InChIKey is LXLHZPQLPFPCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-15(17)14-11-12(2)9-10-16(14)18-13-7-5-4-6-8-13/h12-13,15,18H,3-11,17H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine?
2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-cyclohexyl-4-methylcyclohexen-1-amine is sourced from PubChem (CID 143116473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).