2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine

C18H29N — CID 63994661

IUPAC2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccc(C)cc1
InChIInChI=1S/C18H29N/c1-5-17(16-9-6-13(2)7-10-16)19-18-11-8-14(3)12-15(18)4/h6-7,9-10,14-15,17-19H,5,8,11-12H2,1-4H3
InChIKeyAOMPEBMYGYGBOI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds4

About 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine

2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine (PubChem CID 63994661) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
PubChem CID63994661
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1C)c1ccc(C)cc1
InChIInChI=1S/C18H29N/c1-5-17(16-9-6-13(2)7-10-16)19-18-11-8-14(3)12-15(18)4/h6-7,9-10,14-15,17-19H,5,8,11-12H2,1-4H3
InChIKeyAOMPEBMYGYGBOI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
2-methyl-N-[1-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 62397495
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
N-[1-(5-fluoro-2-pyridinyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 112583154
4-[1-[(2-methylcyclopropyl)amino]propyl]phenol
CID 62398897
N-[1-(4-fluorophenyl)propyl]-2-methylcyclopropan-1-amine
CID 62397881
1-N-[1-(4-methylphenyl)propyl]cyclobutane-1,3-diamine
CID 80559783
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine (CID 63994661) is 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine is CCC(NC1CCC(C)CC1C)c1ccc(C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
The InChIKey is AOMPEBMYGYGBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-17(16-9-6-13(2)7-10-16)19-18-11-8-14(3)12-15(18)4/h6-7,9-10,14-15,17-19H,5,8,11-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine?
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 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-(4-methylphenyl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 63994661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).