1-methanimidoyl-2-methylpyridin-2-amine

C7H11N3 — CID 163904763

IUPAC1-methanimidoyl-2-methylpyridin-2-amine
SMILES[H]/N=C/N1C=CC=CC1(C)N
InChIInChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/b8-6+
InChIKeyQMZCAGWZRGAXKP-SOFGYWHQSA-N
MW137.19 g/mol
LogP0.65
Rot. Bonds1

About 1-methanimidoyl-2-methylpyridin-2-amine

1-methanimidoyl-2-methylpyridin-2-amine (PubChem CID 163904763) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-methanimidoyl-2-methylpyridin-2-amine.

Molecular Properties

Compound Name1-methanimidoyl-2-methylpyridin-2-amine
PubChem CID163904763
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-methanimidoyl-2-methylpyridin-2-amine
SMILES[H]/N=C/N1C=CC=CC1(C)N
InChIInChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/b8-6+
InChIKeyQMZCAGWZRGAXKP-SOFGYWHQSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethylpyridine-2,5-diamine
CID 69986740
1,2-Dimethylpyridin-2-amine
CID 153972177
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
(1-Methanimidoyl-2-methyl-2-pyridinyl)azanium
CID 163904762
1-methanimidoyl-2H-pyridin-2-amine
CID 170061290
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 143160360

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-2-methylpyridin-2-amine?
The IUPAC name of 1-methanimidoyl-2-methylpyridin-2-amine (CID 163904763) is 1-methanimidoyl-2-methylpyridin-2-amine.
What is the SMILES notation for 1-methanimidoyl-2-methylpyridin-2-amine?
The canonical SMILES for 1-methanimidoyl-2-methylpyridin-2-amine is [H]/N=C/N1C=CC=CC1(C)N.
What is the InChIKey of 1-methanimidoyl-2-methylpyridin-2-amine?
The InChIKey is QMZCAGWZRGAXKP-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/b8-6+.
What are the key properties of 1-methanimidoyl-2-methylpyridin-2-amine?
1-methanimidoyl-2-methylpyridin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-2-methylpyridin-2-amine is sourced from PubChem (CID 163904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).