1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

C18H27N — CID 116661135

IUPAC1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2=CCCCC2)c(C)c1
InChIInChI=1S/C18H27N/c1-13-9-14(2)18(15(3)10-13)12-17(19)11-16-7-5-4-6-8-16/h7,9-10,17H,4-6,8,11-12,19H2,1-3H3
InChIKeyXXJNRGJJNHGBDO-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.37
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 116661135) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID116661135
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2=CCCCC2)c(C)c1
InChIInChI=1S/C18H27N/c1-13-9-14(2)18(15(3)10-13)12-17(19)11-16-7-5-4-6-8-16/h7,9-10,17H,4-6,8,11-12,19H2,1-3H3
InChIKeyXXJNRGJJNHGBDO-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
CID 105406982
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116661199
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-(3-bromo-4-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661239
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
CID 116661188
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-(5-chloro-2-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661242

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 116661135) is 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)CC2=CCCCC2)c(C)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is XXJNRGJJNHGBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-9-14(2)18(15(3)10-13)12-17(19)11-16-7-5-4-6-8-16/h7,9-10,17H,4-6,8,11-12,19H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 116661135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).