2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine

C13H17N5 — CID 163443040

IUPAC2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
SMILESCNc1ccc(N)c(Nc2cccc(CN)c2)n1
InChIInChI=1S/C13H17N5/c1-16-12-6-5-11(15)13(18-12)17-10-4-2-3-9(7-10)8-14/h2-7H,8,14-15H2,1H3,(H2,16,17,18)
InChIKeyBAEMXKODQXDVDX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds4

About 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine

2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine (PubChem CID 163443040) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
PubChem CID163443040
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
SMILESCNc1ccc(N)c(Nc2cccc(CN)c2)n1
InChIInChI=1S/C13H17N5/c1-16-12-6-5-11(15)13(18-12)17-10-4-2-3-9(7-10)8-14/h2-7H,8,14-15H2,1H3,(H2,16,17,18)
InChIKeyBAEMXKODQXDVDX-UHFFFAOYSA-N
XLogP1.91
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
methyl 2-[3-(aminomethyl)anilino]-6-methoxypyridine-3-carboxylate
CID 20714362
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine?
The IUPAC name of 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine (CID 163443040) is 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine.
What is the SMILES notation for 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine?
The canonical SMILES for 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine is CNc1ccc(N)c(Nc2cccc(CN)c2)n1.
What is the InChIKey of 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine?
The InChIKey is BAEMXKODQXDVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-16-12-6-5-11(15)13(18-12)17-10-4-2-3-9(7-10)8-14/h2-7H,8,14-15H2,1H3,(H2,16,17,18).
What are the key properties of 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine?
2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine is sourced from PubChem (CID 163443040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).