N-[(Z)-hex-3-enylidene]methanimidamide

C7H12N2 — CID 89283748

IUPACN-[(Z)-hex-3-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C/C=C\CC
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-9-7-8/h3-4,6-8H,2,5H2,1H3/b4-3-,8-7+,9-6+
InChIKeyUMJBKVQUIGDWNF-CCICSZOCSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds4

About N-[(Z)-hex-3-enylidene]methanimidamide

N-[(Z)-hex-3-enylidene]methanimidamide (PubChem CID 89283748) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-hex-3-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-hex-3-enylidene]methanimidamide
PubChem CID89283748
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-hex-3-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C/C=C\CC
InChIInChI=1S/C7H12N2/c1-2-3-4-5-6-9-7-8/h3-4,6-8H,2,5H2,1H3/b4-3-,8-7+,9-6+
InChIKeyUMJBKVQUIGDWNF-CCICSZOCSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-hex-3-enylidene]methanimidamide 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 N-[(Z)-hex-3-enylidene]methanimidamide?
The IUPAC name of N-[(Z)-hex-3-enylidene]methanimidamide (CID 89283748) is N-[(Z)-hex-3-enylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-hex-3-enylidene]methanimidamide?
The canonical SMILES for N-[(Z)-hex-3-enylidene]methanimidamide is [H]/N=C/N=C/C/C=C\CC.
What is the InChIKey of N-[(Z)-hex-3-enylidene]methanimidamide?
The InChIKey is UMJBKVQUIGDWNF-CCICSZOCSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-5-6-9-7-8/h3-4,6-8H,2,5H2,1H3/b4-3-,8-7+,9-6+.
What are the key properties of N-[(Z)-hex-3-enylidene]methanimidamide?
N-[(Z)-hex-3-enylidene]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-3-enylidene]methanimidamide is sourced from PubChem (CID 89283748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).