1-methanimidoyl-4-pentylpyridin-2-imine

C11H17N3 — CID 168894331

IUPAC1-methanimidoyl-4-pentylpyridin-2-imine
SMILES[H]/N=C/n1ccc(CCCCC)c/c1=N\[H]
InChIInChI=1S/C11H17N3/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10/h6-9,12-13H,2-5H2,1H3/b12-9+,13-11+
InChIKeyTYJZQDHDGWLARM-RBDPUHSXSA-N
MW191.28 g/mol
LogP2.16
Rot. Bonds5

About 1-methanimidoyl-4-pentylpyridin-2-imine

1-methanimidoyl-4-pentylpyridin-2-imine (PubChem CID 168894331) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methanimidoyl-4-pentylpyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-pentylpyridin-2-imine
PubChem CID168894331
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-methanimidoyl-4-pentylpyridin-2-imine
SMILES[H]/N=C/n1ccc(CCCCC)c/c1=N\[H]
InChIInChI=1S/C11H17N3/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10/h6-9,12-13H,2-5H2,1H3/b12-9+,13-11+
InChIKeyTYJZQDHDGWLARM-RBDPUHSXSA-N
XLogP2.16
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methanimidoyl-4-pentylpyridin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-pentylpyridin-2-imine?
The IUPAC name of 1-methanimidoyl-4-pentylpyridin-2-imine (CID 168894331) is 1-methanimidoyl-4-pentylpyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-pentylpyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-pentylpyridin-2-imine is [H]/N=C/n1ccc(CCCCC)c/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-pentylpyridin-2-imine?
The InChIKey is TYJZQDHDGWLARM-RBDPUHSXSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10/h6-9,12-13H,2-5H2,1H3/b12-9+,13-11+.
What are the key properties of 1-methanimidoyl-4-pentylpyridin-2-imine?
1-methanimidoyl-4-pentylpyridin-2-imine has a molecular weight of 191.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-pentylpyridin-2-imine is sourced from PubChem (CID 168894331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).