6-imino-5-methyl-2,3-dihydropyridin-1-amine

C6H11N3 — CID 90747431

IUPAC6-imino-5-methyl-2,3-dihydropyridin-1-amine
SMILES[H]/N=C1\C(C)=CCCN1N
InChIInChI=1S/C6H11N3/c1-5-3-2-4-9(8)6(5)7/h3,7H,2,4,8H2,1H3/b7-6+
InChIKeySLKQSWLKEKSJSR-VOTSOKGWSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds

About 6-imino-5-methyl-2,3-dihydropyridin-1-amine

6-imino-5-methyl-2,3-dihydropyridin-1-amine (PubChem CID 90747431) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-imino-5-methyl-2,3-dihydropyridin-1-amine.

Molecular Properties

Compound Name6-imino-5-methyl-2,3-dihydropyridin-1-amine
PubChem CID90747431
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name6-imino-5-methyl-2,3-dihydropyridin-1-amine
SMILES[H]/N=C1\C(C)=CCCN1N
InChIInChI=1S/C6H11N3/c1-5-3-2-4-9(8)6(5)7/h3,7H,2,4,8H2,1H3/b7-6+
InChIKeySLKQSWLKEKSJSR-VOTSOKGWSA-N
XLogP0.49
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Imino-2,3-dihydropyridin-1-amine
CID 53955967
6-Imino-2,5-dihydropyridin-1-amine
CID 57319571

Frequently Asked Questions

What is the IUPAC name of 6-imino-5-methyl-2,3-dihydropyridin-1-amine?
The IUPAC name of 6-imino-5-methyl-2,3-dihydropyridin-1-amine (CID 90747431) is 6-imino-5-methyl-2,3-dihydropyridin-1-amine.
What is the SMILES notation for 6-imino-5-methyl-2,3-dihydropyridin-1-amine?
The canonical SMILES for 6-imino-5-methyl-2,3-dihydropyridin-1-amine is [H]/N=C1\C(C)=CCCN1N.
What is the InChIKey of 6-imino-5-methyl-2,3-dihydropyridin-1-amine?
The InChIKey is SLKQSWLKEKSJSR-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-3-2-4-9(8)6(5)7/h3,7H,2,4,8H2,1H3/b7-6+.
What are the key properties of 6-imino-5-methyl-2,3-dihydropyridin-1-amine?
6-imino-5-methyl-2,3-dihydropyridin-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-5-methyl-2,3-dihydropyridin-1-amine is sourced from PubChem (CID 90747431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).