2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine

C18H27N — CID 116661191

IUPAC2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1cccc(C(N)CC2=CCCCC2)c1
InChIInChI=1S/C18H27N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h6-7,9-10,12,14,18H,3-5,8,11,13,19H2,1-2H3
InChIKeyYCBQNDNYQMVGTM-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.78
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine

2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine (PubChem CID 116661191) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
PubChem CID116661191
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1cccc(C(N)CC2=CCCCC2)c1
InChIInChI=1S/C18H27N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h6-7,9-10,12,14,18H,3-5,8,11,13,19H2,1-2H3
InChIKeyYCBQNDNYQMVGTM-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.78
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

1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
CID 116661307
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene
CID 140592264
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
1-(2-phenylbutyl)cycloheptene
CID 143290808
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine (CID 116661191) is 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1cccc(C(N)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is YCBQNDNYQMVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h6-7,9-10,12,14,18H,3-5,8,11,13,19H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine?
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 116661191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).