5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine

C28H41N — CID 142440895

IUPAC5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine
SMILESC=C(c1ccc(C)cc1)c1c(C)cc(C(C)(CC)C2CCCCC2)cc1C.CN
InChIInChI=1S/C27H36.CH5N/c1-7-27(6,24-11-9-8-10-12-24)25-17-20(3)26(21(4)18-25)22(5)23-15-13-19(2)14-16-23;1-2/h13-18,24H,5,7-12H2,1-4,6H3;2H2,1H3
InChIKeyRFQBFAGEGZCVGC-UHFFFAOYSA-N
MW391.64 g/mol
LogP7.50
Rot. Bonds5

About 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine

5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine (PubChem CID 142440895) has the molecular formula C28H41N and a molecular weight of 391.64 g/mol. Its IUPAC name is 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine.

Molecular Properties

Compound Name5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine
PubChem CID142440895
Molecular FormulaC28H41N
Molecular Weight391.64 g/mol
Exact Mass391.32
IUPAC Name5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine
SMILESC=C(c1ccc(C)cc1)c1c(C)cc(C(C)(CC)C2CCCCC2)cc1C.CN
InChIInChI=1S/C27H36.CH5N/c1-7-27(6,24-11-9-8-10-12-24)25-17-20(3)26(21(4)18-25)22(5)23-15-13-19(2)14-16-23;1-2/h13-18,24H,5,7-12H2,1-4,6H3;2H2,1H3
InChIKeyRFQBFAGEGZCVGC-UHFFFAOYSA-N
XLogP7.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine 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

3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
2-(2-cyclohexylpropan-2-yl)-1,4-dimethylbenzene
CID 154060566
2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 10890406
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
3-methylpentan-3-ylcycloundecane
CID 123467319
1-[(2R)-2-cyclohexyl-4-methylpent-4-en-2-yl]-4-methoxybenzene
CID 146167639
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole
CID 156811045
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine?
The IUPAC name of 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine (CID 142440895) is 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine.
What is the SMILES notation for 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine?
The canonical SMILES for 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine is C=C(c1ccc(C)cc1)c1c(C)cc(C(C)(CC)C2CCCCC2)cc1C.CN.
What is the InChIKey of 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine?
The InChIKey is RFQBFAGEGZCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36.CH5N/c1-7-27(6,24-11-9-8-10-12-24)25-17-20(3)26(21(4)18-25)22(5)23-15-13-19(2)14-16-23;1-2/h13-18,24H,5,7-12H2,1-4,6H3;2H2,1H3.
What are the key properties of 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine?
5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine has a molecular weight of 391.64 g/mol, XLogP of 7.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine is sourced from PubChem (CID 142440895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).