2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine

C17H27N — CID 63994859

IUPAC2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-16(15-8-6-5-7-9-15)18-17-11-10-13(2)12-14(17)3/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyKYKCOLWWHLYKFR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds4

About 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine

2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine (PubChem CID 63994859) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
PubChem CID63994859
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-16(15-8-6-5-7-9-15)18-17-11-10-13(2)12-14(17)3/h5-9,13-14,16-18H,4,10-12H2,1-3H3
InChIKeyKYKCOLWWHLYKFR-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008149
2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
N-[1-(5-fluoro-2-pyridinyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 112583154
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine (CID 63994859) is 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine is CCC(NC1CCC(C)CC1C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The InChIKey is KYKCOLWWHLYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-16(15-8-6-5-7-9-15)18-17-11-10-13(2)12-14(17)3/h5-9,13-14,16-18H,4,10-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine?
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 63994859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).