4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine

C22H34N2 — CID 87526120

IUPAC4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine
SMILESCC=Cc1c(N)c(C)c(N)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C22H34N2/c1-3-10-18-19(16-11-6-4-7-12-16)20(17-13-8-5-9-14-17)22(24)15(2)21(18)23/h3,10,16-17H,4-9,11-14,23-24H2,1-2H3
InChIKeyMGJPFVNZMNDFIK-UHFFFAOYSA-N
MW326.53 g/mol
LogP6.29
Rot. Bonds3

About 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine

4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine (PubChem CID 87526120) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine.

Molecular Properties

Compound Name4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine
PubChem CID87526120
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine
SMILESCC=Cc1c(N)c(C)c(N)c(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C22H34N2/c1-3-10-18-19(16-11-6-4-7-12-16)20(17-13-8-5-9-14-17)22(24)15(2)21(18)23/h3,10,16-17H,4-9,11-14,23-24H2,1-2H3
InChIKeyMGJPFVNZMNDFIK-UHFFFAOYSA-N
XLogP6.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dicyclohexyl-6-ethyl-2-methylbenzene-1,3-diamine
CID 87525753
3-cyclohexyl-4,5-dimethylthiophen-2-amine
CID 82366166
1,2,3,4,5-pentacyclohexyl-6-ethenylbenzene
CID 140540500
2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 87526136
3,5-dibromo-4-cyclohexyl-2,6-dimethylphenol
CID 141143598
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
3-amino-2-cyclohexyl-4-methylbenzamide
CID 19091643
5-cyclopentyl-4-methylbenzene-1,3-diamine
CID 54013593
4-cyclopentyl-5-methyl-1H-pyrazol-3-amine
CID 83815875
4-cyclohexyl-2,5-dimethylfuran-3-carboxamide
CID 18407269
3-cyclohexyl-4-methyl-2,5-bis(2-methylbutan-2-yl)thiophene
CID 71081701
5-cyclooctyl-2,4-dimethylpyrazol-3-amine
CID 65018283

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine?
The IUPAC name of 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine (CID 87526120) is 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine.
What is the SMILES notation for 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine?
The canonical SMILES for 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine is CC=Cc1c(N)c(C)c(N)c(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine?
The InChIKey is MGJPFVNZMNDFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-3-10-18-19(16-11-6-4-7-12-16)20(17-13-8-5-9-14-17)22(24)15(2)21(18)23/h3,10,16-17H,4-9,11-14,23-24H2,1-2H3.
What are the key properties of 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine?
4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine has a molecular weight of 326.53 g/mol, XLogP of 6.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-2-methyl-6-prop-1-enylbenzene-1,3-diamine is sourced from PubChem (CID 87526120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).