1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine

C9H14N4 — CID 130256682

IUPAC1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
SMILES[H]/N=C(\C)n1cc(N)cc(CC)/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-3-7-4-8(11)5-13(6(2)10)9(7)12/h4-5,10,12H,3,11H2,1-2H3/b10-6+,12-9+
InChIKeyQWJNACRSKHPEQR-KOOBJXAQSA-N
MW178.24 g/mol
LogP0.96
Rot. Bonds1

About 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine

1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine (PubChem CID 130256682) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine.

Molecular Properties

Compound Name1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
PubChem CID130256682
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
SMILES[H]/N=C(\C)n1cc(N)cc(CC)/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-3-7-4-8(11)5-13(6(2)10)9(7)12/h4-5,10,12H,3,11H2,1-2H3/b10-6+,12-9+
InChIKeyQWJNACRSKHPEQR-KOOBJXAQSA-N
XLogP0.96
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine?
The IUPAC name of 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine (CID 130256682) is 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine.
What is the SMILES notation for 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine?
The canonical SMILES for 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine is [H]/N=C(\C)n1cc(N)cc(CC)/c1=N\[H].
What is the InChIKey of 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine?
The InChIKey is QWJNACRSKHPEQR-KOOBJXAQSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-7-4-8(11)5-13(6(2)10)9(7)12/h4-5,10,12H,3,11H2,1-2H3/b10-6+,12-9+.
What are the key properties of 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine?
1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-5-ethyl-6-iminopyridin-3-amine is sourced from PubChem (CID 130256682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).