3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine

C13H15N3 — CID 62323012

IUPAC3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
SMILESCc1cccc(CNc2cccc(N)c2)n1
InChIInChI=1S/C13H15N3/c1-10-4-2-7-13(16-10)9-15-12-6-3-5-11(14)8-12/h2-8,15H,9,14H2,1H3
InChIKeyHZWLQOFOIQLKHG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds3

About 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine

3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine (PubChem CID 62323012) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
PubChem CID62323012
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
SMILESCc1cccc(CNc2cccc(N)c2)n1
InChIInChI=1S/C13H15N3/c1-10-4-2-7-13(16-10)9-15-12-6-3-5-11(14)8-12/h2-8,15H,9,14H2,1H3
InChIKeyHZWLQOFOIQLKHG-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine (CID 62323012) is 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine is Cc1cccc(CNc2cccc(N)c2)n1.
What is the InChIKey of 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine?
The InChIKey is HZWLQOFOIQLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-2-7-13(16-10)9-15-12-6-3-5-11(14)8-12/h2-8,15H,9,14H2,1H3.
What are the key properties of 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine?
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 62323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).