(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine

C9H11N3 — CID 142933408

IUPAC(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(\N)c1ccccn1
InChIInChI=1S/C9H11N3/c1-7(6-10)9(11)8-4-2-3-5-12-8/h2-6,10H,11H2,1H3/b9-7-,10-6+
InChIKeyHENDHQBAQLTAHZ-ODUODFHUSA-N
MW161.21 g/mol
LogP1.42
Rot. Bonds2

About (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine

(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine (PubChem CID 142933408) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
PubChem CID142933408
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
SMILES[H]/N=C/C(C)=C(\N)c1ccccn1
InChIInChI=1S/C9H11N3/c1-7(6-10)9(11)8-4-2-3-5-12-8/h2-6,10H,11H2,1H3/b9-7-,10-6+
InChIKeyHENDHQBAQLTAHZ-ODUODFHUSA-N
XLogP1.42
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
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 (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine (CID 142933408) is (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine is [H]/N=C/C(C)=C(\N)c1ccccn1.
What is the InChIKey of (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine?
The InChIKey is HENDHQBAQLTAHZ-ODUODFHUSA-N. The full InChI is InChI=1S/C9H11N3/c1-7(6-10)9(11)8-4-2-3-5-12-8/h2-6,10H,11H2,1H3/b9-7-,10-6+.
What are the key properties of (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine?
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine has a molecular weight of 161.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine is sourced from PubChem (CID 142933408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).