N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine

C19H31N — CID 64740428

IUPACN-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H31N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h6-7,9-10,15-16,18-20H,5,8,11-13H2,1-4H3
InChIKeyHWIGPKQJZDXEJG-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.11
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine (PubChem CID 64740428) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
PubChem CID64740428
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C19H31N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h6-7,9-10,15-16,18-20H,5,8,11-13H2,1-4H3
InChIKeyHWIGPKQJZDXEJG-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
N-[(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104989307
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[2,3-dihydro-1H-inden-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65412296
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine (CID 64740428) is N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is HWIGPKQJZDXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-12-20-19(17-9-6-14(2)7-10-17)18-11-8-15(3)16(4)13-18/h6-7,9-10,15-16,18-20H,5,8,11-13H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).