N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine

C19H31N — CID 65391838

IUPACN-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H31N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3
InChIKeySJTPSNCTTWEOEC-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.25
Rot. Bonds5

About N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 65391838) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID65391838
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H31N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3
InChIKeySJTPSNCTTWEOEC-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[(4,4-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 65390054
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine (CID 65391838) is N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)C1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is SJTPSNCTTWEOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-14-20-18(16-8-6-15(2)7-9-16)17-10-12-19(3,4)13-11-17/h6-9,17-18,20H,5,10-14H2,1-4H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65391838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).