3-(aminomethyl)-4-methylpyridine-2,6-diamine

C7H12N4 — CID 89319703

IUPAC3-(aminomethyl)-4-methylpyridine-2,6-diamine
SMILESCc1cc(N)nc(N)c1CN
InChIInChI=1S/C7H12N4/c1-4-2-6(9)11-7(10)5(4)3-8/h2H,3,8H2,1H3,(H4,9,10,11)
InChIKeyXMDSNXATSNKWAZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.01
Rot. Bonds1

About 3-(aminomethyl)-4-methylpyridine-2,6-diamine

3-(aminomethyl)-4-methylpyridine-2,6-diamine (PubChem CID 89319703) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-(aminomethyl)-4-methylpyridine-2,6-diamine
PubChem CID89319703
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(aminomethyl)-4-methylpyridine-2,6-diamine
SMILESCc1cc(N)nc(N)c1CN
InChIInChI=1S/C7H12N4/c1-4-2-6(9)11-7(10)5(4)3-8/h2H,3,8H2,1H3,(H4,9,10,11)
InChIKeyXMDSNXATSNKWAZ-UHFFFAOYSA-N
XLogP0.01
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methylpyridine-2,6-diamine?
The IUPAC name of 3-(aminomethyl)-4-methylpyridine-2,6-diamine (CID 89319703) is 3-(aminomethyl)-4-methylpyridine-2,6-diamine.
What is the SMILES notation for 3-(aminomethyl)-4-methylpyridine-2,6-diamine?
The canonical SMILES for 3-(aminomethyl)-4-methylpyridine-2,6-diamine is Cc1cc(N)nc(N)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-methylpyridine-2,6-diamine?
The InChIKey is XMDSNXATSNKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4-2-6(9)11-7(10)5(4)3-8/h2H,3,8H2,1H3,(H4,9,10,11).
What are the key properties of 3-(aminomethyl)-4-methylpyridine-2,6-diamine?
3-(aminomethyl)-4-methylpyridine-2,6-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methylpyridine-2,6-diamine is sourced from PubChem (CID 89319703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).