5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine

C15H24N2 — CID 112647560

IUPAC5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC2CCCCC2C)c1
InChIInChI=1S/C15H24N2/c1-11-7-14(16)9-15(8-11)17-10-13-6-4-3-5-12(13)2/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyFREUALRFEDMVCE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.82
Rot. Bonds3

About 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine

5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine (PubChem CID 112647560) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine
PubChem CID112647560
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(NCC2CCCCC2C)c1
InChIInChI=1S/C15H24N2/c1-11-7-14(16)9-15(8-11)17-10-13-6-4-3-5-12(13)2/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyFREUALRFEDMVCE-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.82
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

2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391
5-methyl-3-N-[(3-methylcyclopentyl)methyl]benzene-1,3-diamine
CID 107411178
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79900416
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
3-N-[(1,1-dioxothiolan-2-yl)methyl]-5-methylbenzene-1,3-diamine
CID 112648119
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine (CID 112647560) is 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine is Cc1cc(N)cc(NCC2CCCCC2C)c1.
What is the InChIKey of 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine?
The InChIKey is FREUALRFEDMVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-7-14(16)9-15(8-11)17-10-13-6-4-3-5-12(13)2/h7-9,12-13,17H,3-6,10,16H2,1-2H3.
What are the key properties of 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine?
5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 112647560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).