1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine

C13H15N3 — CID 117041090

IUPAC1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccncc2)c1
InChIInChI=1S/C13H15N3/c1-14-11-4-3-5-13(10-11)16(2)12-6-8-15-9-7-12/h3-10,14H,1-2H3
InChIKeyIVANSNPLKMIZFK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.89
Rot. Bonds3

About 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine

1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine (PubChem CID 117041090) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
PubChem CID117041090
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccncc2)c1
InChIInChI=1S/C13H15N3/c1-14-11-4-3-5-13(10-11)16(2)12-6-8-15-9-7-12/h3-10,14H,1-2H3
InChIKeyIVANSNPLKMIZFK-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 117028923
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
3-[methyl(pyridin-4-yl)amino]benzenesulfonyl chloride
CID 126544244
3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041076
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine (CID 117041090) is 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine is CNc1cccc(N(C)c2ccncc2)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine?
The InChIKey is IVANSNPLKMIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-14-11-4-3-5-13(10-11)16(2)12-6-8-15-9-7-12/h3-10,14H,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine is sourced from PubChem (CID 117041090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).