5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine

C11H19N3 — CID 123200494

IUPAC5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine
SMILES[H]/N=C(\C)CC/C(CC)=N/C=C\C=N\C
InChIInChI=1S/C11H19N3/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h5,8-9,12H,4,6-7H2,1-3H3/b9-5-,12-10+,13-8+,14-11+
InChIKeyIQUZELZAFJFBER-UTGAGJMMSA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds6

About 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine

5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine (PubChem CID 123200494) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine.

Molecular Properties

Compound Name5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine
PubChem CID123200494
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine
SMILES[H]/N=C(\C)CC/C(CC)=N/C=C\C=N\C
InChIInChI=1S/C11H19N3/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h5,8-9,12H,4,6-7H2,1-3H3/b9-5-,12-10+,13-8+,14-11+
InChIKeyIQUZELZAFJFBER-UTGAGJMMSA-N
XLogP2.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine 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 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine?
The IUPAC name of 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine (CID 123200494) is 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine.
What is the SMILES notation for 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine?
The canonical SMILES for 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine is [H]/N=C(\C)CC/C(CC)=N/C=C\C=N\C.
What is the InChIKey of 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine?
The InChIKey is IQUZELZAFJFBER-UTGAGJMMSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h5,8-9,12H,4,6-7H2,1-3H3/b9-5-,12-10+,13-8+,14-11+.
What are the key properties of 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine?
5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine has a molecular weight of 193.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(Z)-3-methyliminoprop-1-enyl]heptane-2,5-diimine is sourced from PubChem (CID 123200494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).