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

C14H17N3 — CID 117028923

IUPAC1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)Cc2ccncc2)c1
InChIInChI=1S/C14H17N3/c1-15-13-4-3-5-14(10-13)17(2)11-12-6-8-16-9-7-12/h3-10,15H,11H2,1-2H3
InChIKeyOYDWZKSKNINBBP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.76
Rot. Bonds4

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

1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine (PubChem CID 117028923) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
PubChem CID117028923
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)Cc2ccncc2)c1
InChIInChI=1S/C14H17N3/c1-15-13-4-3-5-14(10-13)17(2)11-12-6-8-16-9-7-12/h3-10,15H,11H2,1-2H3
InChIKeyOYDWZKSKNINBBP-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
2-[1-(methylamino)ethyl]-5-[methyl(pyridin-4-ylmethyl)amino]phenol
CID 79599888
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
2-chloro-4-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 62946231
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine (CID 117028923) is 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine is CNc1cccc(N(C)Cc2ccncc2)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The InChIKey is OYDWZKSKNINBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-13-4-3-5-14(10-13)17(2)11-12-6-8-16-9-7-12/h3-10,15H,11H2,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.76, 4 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-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 117028923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).