3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine

C15H19N3 — CID 115377275

IUPAC3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2cccnc2)cc1N(C)C
InChIInChI=1S/C15H19N3/c1-12-6-7-14(9-15(12)18(2)3)17-11-13-5-4-8-16-10-13/h4-10,17H,11H2,1-3H3
InChIKeyKHPYCRYABBVTHW-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.07
Rot. Bonds4

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

3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine (PubChem CID 115377275) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
PubChem CID115377275
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2cccnc2)cc1N(C)C
InChIInChI=1S/C15H19N3/c1-12-6-7-14(9-15(12)18(2)3)17-11-13-5-4-8-16-10-13/h4-10,17H,11H2,1-3H3
InChIKeyKHPYCRYABBVTHW-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)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

3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
3-[[4-(dimethylsulfamoylamino)anilino]methyl]pyridine
CID 112983066
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine (CID 115377275) is 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine is Cc1ccc(NCc2cccnc2)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is KHPYCRYABBVTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-6-7-14(9-15(12)18(2)3)17-11-13-5-4-8-16-10-13/h4-10,17H,11H2,1-3H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 115377275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).