4-(aminomethyl)pyridin-2-amine

C6H9N3 — CID 34176886

IUPAC4-(aminomethyl)pyridin-2-amine
SMILESNCc1ccnc(N)c1
InChIInChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
InChIKeyYKQKTLFFQSDTGM-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.12
Rot. Bonds1

About 4-(aminomethyl)pyridin-2-amine

4-(aminomethyl)pyridin-2-amine (PubChem CID 34176886) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-(aminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)pyridin-2-amine
PubChem CID34176886
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-(aminomethyl)pyridin-2-amine
SMILESNCc1ccnc(N)c1
InChIInChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
InChIKeyYKQKTLFFQSDTGM-UHFFFAOYSA-N
XLogP0.12
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)pyridin-2-amine (CID 34176886) is 4-(aminomethyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)pyridin-2-amine is NCc1ccnc(N)c1.
What is the InChIKey of 4-(aminomethyl)pyridin-2-amine?
The InChIKey is YKQKTLFFQSDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9).
What are the key properties of 4-(aminomethyl)pyridin-2-amine?
4-(aminomethyl)pyridin-2-amine has a molecular weight of 123.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyridin-2-amine is sourced from PubChem (CID 34176886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).