2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

C19H29N — CID 63448573

IUPAC2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NCCC2CCCCC2)C2CC2)cc1
InChIInChI=1S/C19H29N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h7-10,16,18-20H,2-6,11-14H2,1H3
InChIKeySOFPXNWQPGIDDU-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.01
Rot. Bonds6

About 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (PubChem CID 63448573) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
PubChem CID63448573
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NCCC2CCCCC2)C2CC2)cc1
InChIInChI=1S/C19H29N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h7-10,16,18-20H,2-6,11-14H2,1H3
InChIKeySOFPXNWQPGIDDU-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
N-[(3-ethylcyclopentyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65410254
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
[(4-butylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105285296
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43766353
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[(4,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 65391838

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (CID 63448573) is 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is Cc1ccc(C(NCCC2CCCCC2)C2CC2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The InChIKey is SOFPXNWQPGIDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h7-10,16,18-20H,2-6,11-14H2,1H3.
What are the key properties of 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 63448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).