(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine

C9H13N3 — CID 118549041

IUPAC(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1=CC(C)=CNC1
InChIInChI=1S/C9H13N3/c1-7-2-8(6-12-5-7)9(3-10)4-11/h2-5,10,12H,6,11H2,1H3/b9-4+,10-3+
InChIKeyKCPUPNYZOKJHLY-ZNDXWIQOSA-N
MW163.22 g/mol
LogP0.91
Rot. Bonds2

About (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine

(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine (PubChem CID 118549041) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
PubChem CID118549041
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1=CC(C)=CNC1
InChIInChI=1S/C9H13N3/c1-7-2-8(6-12-5-7)9(3-10)4-11/h2-5,10,12H,6,11H2,1H3/b9-4+,10-3+
InChIKeyKCPUPNYZOKJHLY-ZNDXWIQOSA-N
XLogP0.91
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.91
H-Bond Donors ≤ 53
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-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine (CID 118549041) is (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1=CC(C)=CNC1.
What is the InChIKey of (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine?
The InChIKey is KCPUPNYZOKJHLY-ZNDXWIQOSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-2-8(6-12-5-7)9(3-10)4-11/h2-5,10,12H,6,11H2,1H3/b9-4+,10-3+.
What are the key properties of (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 118549041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).