2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

C19H27N — CID 43766353

IUPAC2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NCCC2=CCCCC2)C2CC2)cc1
InChIInChI=1S/C19H27N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h5,7-10,18-20H,2-4,6,11-14H2,1H3
InChIKeyQHRQFSOUYYDPAM-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.93
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (PubChem CID 43766353) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
PubChem CID43766353
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(C(NCCC2=CCCCC2)C2CC2)cc1
InChIInChI=1S/C19H27N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h5,7-10,18-20H,2-4,6,11-14H2,1H3
InChIKeyQHRQFSOUYYDPAM-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-N-(dicyclopropylmethyl)ethanamine
CID 43362810
N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine (CID 43766353) is 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is Cc1ccc(C(NCCC2=CCCCC2)C2CC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
The InChIKey is QHRQFSOUYYDPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-15-7-9-17(10-8-15)19(18-11-12-18)20-14-13-16-5-3-2-4-6-16/h5,7-10,18-20H,2-4,6,11-14H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43766353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).