4-(methyliminomethyl)pyridin-3-amine

C7H9N3 — CID 90929326

IUPAC4-(methyliminomethyl)pyridin-3-amine
SMILESC/N=C/c1ccncc1N
InChIInChI=1S/C7H9N3/c1-9-4-6-2-3-10-5-7(6)8/h2-5H,8H2,1H3/b9-4+
InChIKeyPKDARPDVBKQXCI-RUDMXATFSA-N
MW135.17 g/mol
LogP0.71
Rot. Bonds1

About 4-(methyliminomethyl)pyridin-3-amine

4-(methyliminomethyl)pyridin-3-amine (PubChem CID 90929326) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-(methyliminomethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(methyliminomethyl)pyridin-3-amine
PubChem CID90929326
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name4-(methyliminomethyl)pyridin-3-amine
SMILESC/N=C/c1ccncc1N
InChIInChI=1S/C7H9N3/c1-9-4-6-2-3-10-5-7(6)8/h2-5H,8H2,1H3/b9-4+
InChIKeyPKDARPDVBKQXCI-RUDMXATFSA-N
XLogP0.71
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methyliminomethyl)pyridin-3-amine?
The IUPAC name of 4-(methyliminomethyl)pyridin-3-amine (CID 90929326) is 4-(methyliminomethyl)pyridin-3-amine.
What is the SMILES notation for 4-(methyliminomethyl)pyridin-3-amine?
The canonical SMILES for 4-(methyliminomethyl)pyridin-3-amine is C/N=C/c1ccncc1N.
What is the InChIKey of 4-(methyliminomethyl)pyridin-3-amine?
The InChIKey is PKDARPDVBKQXCI-RUDMXATFSA-N. The full InChI is InChI=1S/C7H9N3/c1-9-4-6-2-3-10-5-7(6)8/h2-5H,8H2,1H3/b9-4+.
What are the key properties of 4-(methyliminomethyl)pyridin-3-amine?
4-(methyliminomethyl)pyridin-3-amine has a molecular weight of 135.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyliminomethyl)pyridin-3-amine is sourced from PubChem (CID 90929326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).