5-(aminomethyl)-6-methyl-3H-pyridin-6-amine

C7H13N3 — CID 123737883

IUPAC5-(aminomethyl)-6-methyl-3H-pyridin-6-amine
SMILESCC1(N)N=CCC=C1CN
InChIInChI=1S/C7H13N3/c1-7(9)6(5-8)3-2-4-10-7/h3-4H,2,5,8-9H2,1H3
InChIKeyFPHKRMOGGALFNQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.02
Rot. Bonds1

About 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine

5-(aminomethyl)-6-methyl-3H-pyridin-6-amine (PubChem CID 123737883) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-methyl-3H-pyridin-6-amine
PubChem CID123737883
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(aminomethyl)-6-methyl-3H-pyridin-6-amine
SMILESCC1(N)N=CCC=C1CN
InChIInChI=1S/C7H13N3/c1-7(9)6(5-8)3-2-4-10-7/h3-4H,2,5,8-9H2,1H3
InChIKeyFPHKRMOGGALFNQ-UHFFFAOYSA-N
XLogP0.02
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine?
The IUPAC name of 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine (CID 123737883) is 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine.
What is the SMILES notation for 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine?
The canonical SMILES for 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine is CC1(N)N=CCC=C1CN.
What is the InChIKey of 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine?
The InChIKey is FPHKRMOGGALFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(9)6(5-8)3-2-4-10-7/h3-4H,2,5,8-9H2,1H3.
What are the key properties of 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine?
5-(aminomethyl)-6-methyl-3H-pyridin-6-amine has a molecular weight of 139.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methyl-3H-pyridin-6-amine is sourced from PubChem (CID 123737883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).