4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine

C16H21N3 — CID 115126478

IUPAC4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)c2ccncc2)c1
InChIInChI=1S/C16H21N3/c1-12-4-5-14(17)15(10-12)19-11-16(2,3)13-6-8-18-9-7-13/h4-10,19H,11,17H2,1-3H3
InChIKeyRCZJDYJMOPDNRC-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.36
Rot. Bonds4

About 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine

4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine (PubChem CID 115126478) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
PubChem CID115126478
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)c2ccncc2)c1
InChIInChI=1S/C16H21N3/c1-12-4-5-14(17)15(10-12)19-11-16(2,3)13-6-8-18-9-7-13/h4-10,19H,11,17H2,1-3H3
InChIKeyRCZJDYJMOPDNRC-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-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

4-amino-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]benzonitrile
CID 115127355
4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine
CID 115126473
4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine
CID 115126464
4-methyl-2-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]benzene-1,2-diamine
CID 115126470
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
4-methyl-2-N-[2-methyl-2-(4-methylphenyl)propyl]pyridine-2,5-diamine
CID 115147521
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
CID 115200944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine (CID 115126478) is 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine is Cc1ccc(N)c(NCC(C)(C)c2ccncc2)c1.
What is the InChIKey of 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine?
The InChIKey is RCZJDYJMOPDNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-4-5-14(17)15(10-12)19-11-16(2,3)13-6-8-18-9-7-13/h4-10,19H,11,17H2,1-3H3.
What are the key properties of 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine?
4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 115126478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).