1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine

C23H38N2 — CID 141237448

IUPAC1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine
SMILESCc1c(NC2CCCCC2)ccc(CC(C)C)c1NC1CCCCC1
InChIInChI=1S/C23H38N2/c1-17(2)16-19-14-15-22(24-20-10-6-4-7-11-20)18(3)23(19)25-21-12-8-5-9-13-21/h14-15,17,20-21,24-25H,4-13,16H2,1-3H3
InChIKeyGWYHLMJOCWUSHY-UHFFFAOYSA-N
MW342.57 g/mol
LogP6.68
Rot. Bonds6

About 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine

1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine (PubChem CID 141237448) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine
PubChem CID141237448
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine
SMILESCc1c(NC2CCCCC2)ccc(CC(C)C)c1NC1CCCCC1
InChIInChI=1S/C23H38N2/c1-17(2)16-19-14-15-22(24-20-10-6-4-7-11-20)18(3)23(19)25-21-12-8-5-9-13-21/h14-15,17,20-21,24-25H,4-13,16H2,1-3H3
InChIKeyGWYHLMJOCWUSHY-UHFFFAOYSA-N
XLogP6.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine
CID 91374416
4-benzyl-1-N,3-N-dicyclohexyl-2-methylbenzene-1,3-diamine
CID 70996439
1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine
CID 90714937
1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine
CID 91171618
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-cyclopentyl-4-(2-methylpropyl)-2-nitroaniline
CID 123532833
1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
CID 91151578
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
CID 82933121
1-N,3-N-dicyclohexyl-4-propylbenzene-1,3-diamine
CID 90852718
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine (CID 141237448) is 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine is Cc1c(NC2CCCCC2)ccc(CC(C)C)c1NC1CCCCC1.
What is the InChIKey of 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine?
The InChIKey is GWYHLMJOCWUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-17(2)16-19-14-15-22(24-20-10-6-4-7-11-20)18(3)23(19)25-21-12-8-5-9-13-21/h14-15,17,20-21,24-25H,4-13,16H2,1-3H3.
What are the key properties of 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine?
1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine has a molecular weight of 342.57 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dicyclohexyl-2-methyl-4-(2-methylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 141237448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).