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

C14H22N2 — CID 112647121

IUPAC5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCCC(C)C2)c1
InChIInChI=1S/C14H22N2/c1-10-4-3-5-13(7-10)16-14-8-11(2)6-12(15)9-14/h6,8-10,13,16H,3-5,7,15H2,1-2H3
InChIKeyWJPAPKJZTABKAM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds2

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

5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine (PubChem CID 112647121) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
PubChem CID112647121
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCCC(C)C2)c1
InChIInChI=1S/C14H22N2/c1-10-4-3-5-13(7-10)16-14-8-11(2)6-12(15)9-14/h6,8-10,13,16H,3-5,7,15H2,1-2H3
InChIKeyWJPAPKJZTABKAM-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
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

3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 54887701
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
3,4,5-trifluoro-N-(3-methylcyclohexyl)aniline
CID 62810702
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
CID 114008155

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine (CID 112647121) is 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine is Cc1cc(N)cc(NC2CCCC(C)C2)c1.
What is the InChIKey of 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine?
The InChIKey is WJPAPKJZTABKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-4-3-5-13(7-10)16-14-8-11(2)6-12(15)9-14/h6,8-10,13,16H,3-5,7,15H2,1-2H3.
What are the key properties of 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine?
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 112647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).