3-imino-1,6-dimethyl-2H-pyridin-6-amine

C7H13N3 — CID 90936602

IUPAC3-imino-1,6-dimethyl-2H-pyridin-6-amine
SMILES[H]/N=C1\C=CC(C)(N)N(C)C1
InChIInChI=1S/C7H13N3/c1-7(9)4-3-6(8)5-10(7)2/h3-4,8H,5,9H2,1-2H3/b8-6+
InChIKeyXALCCOYTQJEKCB-SOFGYWHQSA-N
MW139.20 g/mol
LogP0.18
Rot. Bonds

About 3-imino-1,6-dimethyl-2H-pyridin-6-amine

3-imino-1,6-dimethyl-2H-pyridin-6-amine (PubChem CID 90936602) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-imino-1,6-dimethyl-2H-pyridin-6-amine.

Molecular Properties

Compound Name3-imino-1,6-dimethyl-2H-pyridin-6-amine
PubChem CID90936602
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-imino-1,6-dimethyl-2H-pyridin-6-amine
SMILES[H]/N=C1\C=CC(C)(N)N(C)C1
InChIInChI=1S/C7H13N3/c1-7(9)4-3-6(8)5-10(7)2/h3-4,8H,5,9H2,1-2H3/b8-6+
InChIKeyXALCCOYTQJEKCB-SOFGYWHQSA-N
XLogP0.18
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2,6-dihydropyridin-3-imine
CID 123316768

Frequently Asked Questions

What is the IUPAC name of 3-imino-1,6-dimethyl-2H-pyridin-6-amine?
The IUPAC name of 3-imino-1,6-dimethyl-2H-pyridin-6-amine (CID 90936602) is 3-imino-1,6-dimethyl-2H-pyridin-6-amine.
What is the SMILES notation for 3-imino-1,6-dimethyl-2H-pyridin-6-amine?
The canonical SMILES for 3-imino-1,6-dimethyl-2H-pyridin-6-amine is [H]/N=C1\C=CC(C)(N)N(C)C1.
What is the InChIKey of 3-imino-1,6-dimethyl-2H-pyridin-6-amine?
The InChIKey is XALCCOYTQJEKCB-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(9)4-3-6(8)5-10(7)2/h3-4,8H,5,9H2,1-2H3/b8-6+.
What are the key properties of 3-imino-1,6-dimethyl-2H-pyridin-6-amine?
3-imino-1,6-dimethyl-2H-pyridin-6-amine has a molecular weight of 139.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1,6-dimethyl-2H-pyridin-6-amine is sourced from PubChem (CID 90936602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).