1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine

C9H14N4 — CID 123651779

IUPAC1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine
SMILES[H]/N=C(\C)n1cc(CNC)cc/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-7(10)13-6-8(5-12-2)3-4-9(13)11/h3-4,6,10-12H,5H2,1-2H3/b10-7+,11-9+
InChIKeyZXIUWKMNVXUNLE-PPZOTWNKSA-N
MW178.24 g/mol
LogP0.53
Rot. Bonds2

About 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine

1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine (PubChem CID 123651779) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine
PubChem CID123651779
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine
SMILES[H]/N=C(\C)n1cc(CNC)cc/c1=N\[H]
InChIInChI=1S/C9H14N4/c1-7(10)13-6-8(5-12-2)3-4-9(13)11/h3-4,6,10-12H,5H2,1-2H3/b10-7+,11-9+
InChIKeyZXIUWKMNVXUNLE-PPZOTWNKSA-N
XLogP0.53
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.53
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-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine (CID 123651779) is 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine is [H]/N=C(\C)n1cc(CNC)cc/c1=N\[H].
What is the InChIKey of 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine?
The InChIKey is ZXIUWKMNVXUNLE-PPZOTWNKSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(10)13-6-8(5-12-2)3-4-9(13)11/h3-4,6,10-12H,5H2,1-2H3/b10-7+,11-9+.
What are the key properties of 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine?
1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine has a molecular weight of 178.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 123651779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).