2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine

C16H23N — CID 79180082

IUPAC2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-13(2)15(17)16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,1,4,7-8,11-12,17H2,2H3
InChIKeyIKQCERQCPHTDHM-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.79
Rot. Bonds3

About 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine

2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine (PubChem CID 79180082) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
PubChem CID79180082
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-13(2)15(17)16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,1,4,7-8,11-12,17H2,2H3
InChIKeyIKQCERQCPHTDHM-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.79
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-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine (CID 79180082) is 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine is C=C(C)C(N)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine?
The InChIKey is IKQCERQCPHTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13(2)15(17)16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10,15H,1,4,7-8,11-12,17H2,2H3.
What are the key properties of 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine?
2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylcyclohexyl)prop-2-en-1-amine is sourced from PubChem (CID 79180082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).