1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H25N3 — CID 113297656

IUPAC1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)cc1N(C)C
InChIInChI=1S/C15H25N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h7-8,10,12-13,17H,4-6,9,16H2,1-3H3
InChIKeyMVIZZUZCMCRIBF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.74
Rot. Bonds3

About 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 113297656) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID113297656
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)cc1N(C)C
InChIInChI=1S/C15H25N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h7-8,10,12-13,17H,4-6,9,16H2,1-3H3
InChIKeyMVIZZUZCMCRIBF-UHFFFAOYSA-N
XLogP2.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 113297656) is 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NC2CCCC(N)C2)cc1N(C)C.
What is the InChIKey of 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is MVIZZUZCMCRIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h7-8,10,12-13,17H,4-6,9,16H2,1-3H3.
What are the key properties of 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).