N-methoxyhex-4-en-2-imine

C7H13NO — CID 573892

IUPACN-methoxyhex-4-en-2-imine
SMILESCC=CCC(C)=NOC
InChIInChI=1S/C7H13NO/c1-4-5-6-7(2)8-9-3/h4-5H,6H2,1-3H3
InChIKeyUVAJWQIAXCBSLQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About N-methoxyhex-4-en-2-imine

N-methoxyhex-4-en-2-imine (PubChem CID 573892) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methoxyhex-4-en-2-imine.

Molecular Properties

Compound NameN-methoxyhex-4-en-2-imine
PubChem CID573892
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methoxyhex-4-en-2-imine
SMILESCC=CCC(C)=NOC
InChIInChI=1S/C7H13NO/c1-4-5-6-7(2)8-9-3/h4-5H,6H2,1-3H3
InChIKeyUVAJWQIAXCBSLQ-UHFFFAOYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxyhex-4-en-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 N-methoxyhex-4-en-2-imine?
The IUPAC name of N-methoxyhex-4-en-2-imine (CID 573892) is N-methoxyhex-4-en-2-imine.
What is the SMILES notation for N-methoxyhex-4-en-2-imine?
The canonical SMILES for N-methoxyhex-4-en-2-imine is CC=CCC(C)=NOC.
What is the InChIKey of N-methoxyhex-4-en-2-imine?
The InChIKey is UVAJWQIAXCBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-6-7(2)8-9-3/h4-5H,6H2,1-3H3.
What are the key properties of N-methoxyhex-4-en-2-imine?
N-methoxyhex-4-en-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyhex-4-en-2-imine is sourced from PubChem (CID 573892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).