3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine

C9H15N3 — CID 178058636

IUPAC3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine
SMILESCC/N=C/C1=CC(C)=CNC1N
InChIInChI=1S/C9H15N3/c1-3-11-6-8-4-7(2)5-12-9(8)10/h4-6,9,12H,3,10H2,1-2H3/b11-6+
InChIKeyUZALUKLTJSSTNW-IZZDOVSWSA-N
MW165.24 g/mol
LogP0.80
Rot. Bonds2

About 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine

3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine (PubChem CID 178058636) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine
PubChem CID178058636
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine
SMILESCC/N=C/C1=CC(C)=CNC1N
InChIInChI=1S/C9H15N3/c1-3-11-6-8-4-7(2)5-12-9(8)10/h4-6,9,12H,3,10H2,1-2H3/b11-6+
InChIKeyUZALUKLTJSSTNW-IZZDOVSWSA-N
XLogP0.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.80
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 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine (CID 178058636) is 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine is CC/N=C/C1=CC(C)=CNC1N.
What is the InChIKey of 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is UZALUKLTJSSTNW-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-11-6-8-4-7(2)5-12-9(8)10/h4-6,9,12H,3,10H2,1-2H3/b11-6+.
What are the key properties of 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine?
3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethyl)-5-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 178058636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).