4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine

C8H13N3 — CID 123401382

IUPAC4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C(\C)C1CCN=C/C1=N\C
InChIInChI=1S/C8H13N3/c1-6(9)7-3-4-11-5-8(7)10-2/h5,7,9H,3-4H2,1-2H3/b9-6+,10-8+
InChIKeyUPHJFAKDLDNRTO-OAMUUVBCSA-N
MW151.21 g/mol
LogP1.19
Rot. Bonds1

About 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine

4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine (PubChem CID 123401382) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine.

Molecular Properties

Compound Name4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine
PubChem CID123401382
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine
SMILES[H]/N=C(\C)C1CCN=C/C1=N\C
InChIInChI=1S/C8H13N3/c1-6(9)7-3-4-11-5-8(7)10-2/h5,7,9H,3-4H2,1-2H3/b9-6+,10-8+
InChIKeyUPHJFAKDLDNRTO-OAMUUVBCSA-N
XLogP1.19
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine?
The IUPAC name of 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine (CID 123401382) is 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine.
What is the SMILES notation for 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine?
The canonical SMILES for 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine is [H]/N=C(\C)C1CCN=C/C1=N\C.
What is the InChIKey of 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine?
The InChIKey is UPHJFAKDLDNRTO-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(9)7-3-4-11-5-8(7)10-2/h5,7,9H,3-4H2,1-2H3/b9-6+,10-8+.
What are the key properties of 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine?
4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine has a molecular weight of 151.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-N-methyl-3,4-dihydro-2H-pyridin-5-imine is sourced from PubChem (CID 123401382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).