2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine

C16H29N — CID 115825418

IUPAC2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
SMILESCC1CCCC(C=C(CN)C2CCCCC2)C1
InChIInChI=1S/C16H29N/c1-13-6-5-7-14(10-13)11-16(12-17)15-8-3-2-4-9-15/h11,13-15H,2-10,12,17H2,1H3
InChIKeyNXSMHXVIWIWFFV-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.28
Rot. Bonds3

About 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine

2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine (PubChem CID 115825418) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
PubChem CID115825418
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
SMILESCC1CCCC(C=C(CN)C2CCCCC2)C1
InChIInChI=1S/C16H29N/c1-13-6-5-7-14(10-13)11-16(12-17)15-8-3-2-4-9-15/h11,13-15H,2-10,12,17H2,1H3
InChIKeyNXSMHXVIWIWFFV-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine (CID 115825418) is 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine is CC1CCCC(C=C(CN)C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine?
The InChIKey is NXSMHXVIWIWFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13-6-5-7-14(10-13)11-16(12-17)15-8-3-2-4-9-15/h11,13-15H,2-10,12,17H2,1H3.
What are the key properties of 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine?
2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine is sourced from PubChem (CID 115825418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).