1-N-(3-methylphenyl)cyclohexane-1,3-diamine

C13H20N2 — CID 79458335

IUPAC1-N-(3-methylphenyl)cyclohexane-1,3-diamine
SMILESCc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C13H20N2/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13,15H,3,5,7,9,14H2,1H3
InChIKeyCIUWMWFILIBKKS-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.68
Rot. Bonds2

About 1-N-(3-methylphenyl)cyclohexane-1,3-diamine

1-N-(3-methylphenyl)cyclohexane-1,3-diamine (PubChem CID 79458335) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methylphenyl)cyclohexane-1,3-diamine
PubChem CID79458335
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-(3-methylphenyl)cyclohexane-1,3-diamine
SMILESCc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C13H20N2/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13,15H,3,5,7,9,14H2,1H3
InChIKeyCIUWMWFILIBKKS-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
2-[3-[(3-aminocyclohexyl)amino]phenoxy]acetonitrile
CID 79458944
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482
1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
1-N-(3,5-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458620
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-methylphenyl)cyclohexane-1,3-diamine (CID 79458335) is 1-N-(3-methylphenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methylphenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-methylphenyl)cyclohexane-1,3-diamine is Cc1cccc(NC2CCCC(N)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)cyclohexane-1,3-diamine?
The InChIKey is CIUWMWFILIBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13,15H,3,5,7,9,14H2,1H3.
What are the key properties of 1-N-(3-methylphenyl)cyclohexane-1,3-diamine?
1-N-(3-methylphenyl)cyclohexane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).