3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine

C14H22N2 — CID 103562221

IUPAC3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
SMILESCc1ccc(NC2CC(C)C2)cc1N(C)C
InChIInChI=1S/C14H22N2/c1-10-7-13(8-10)15-12-6-5-11(2)14(9-12)16(3)4/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyVPTFBNZAVZUVJQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.27
Rot. Bonds3

About 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine (PubChem CID 103562221) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
PubChem CID103562221
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
SMILESCc1ccc(NC2CC(C)C2)cc1N(C)C
InChIInChI=1S/C14H22N2/c1-10-7-13(8-10)15-12-6-5-11(2)14(9-12)16(3)4/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyVPTFBNZAVZUVJQ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
CID 107571985
4-[(3,5-dimethylcyclohexyl)amino]-2-methylbenzenecarbothioamide
CID 81277614
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine (CID 103562221) is 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine is Cc1ccc(NC2CC(C)C2)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine?
The InChIKey is VPTFBNZAVZUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-7-13(8-10)15-12-6-5-11(2)14(9-12)16(3)4/h5-6,9-10,13,15H,7-8H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine is sourced from PubChem (CID 103562221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).