(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine

C11H19NO — CID 89313377

IUPAC(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine
SMILESC=C(/N=C/C=C(\CC)OC)C(C)C
InChIInChI=1S/C11H19NO/c1-6-11(13-5)7-8-12-10(4)9(2)3/h7-9H,4,6H2,1-3,5H3/b11-7+,12-8+
InChIKeyZKZZXSSUYWDXRA-MKICQXMISA-N
MW181.28 g/mol
LogP3.17
Rot. Bonds5

About (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine

(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine (PubChem CID 89313377) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine
PubChem CID89313377
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine
SMILESC=C(/N=C/C=C(\CC)OC)C(C)C
InChIInChI=1S/C11H19NO/c1-6-11(13-5)7-8-12-10(4)9(2)3/h7-9H,4,6H2,1-3,5H3/b11-7+,12-8+
InChIKeyZKZZXSSUYWDXRA-MKICQXMISA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-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 (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine?
The IUPAC name of (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine (CID 89313377) is (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine.
What is the SMILES notation for (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine?
The canonical SMILES for (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine is C=C(/N=C/C=C(\CC)OC)C(C)C.
What is the InChIKey of (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine?
The InChIKey is ZKZZXSSUYWDXRA-MKICQXMISA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(13-5)7-8-12-10(4)9(2)3/h7-9H,4,6H2,1-3,5H3/b11-7+,12-8+.
What are the key properties of (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine?
(E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-N-(3-methylbut-1-en-2-yl)pent-2-en-1-imine is sourced from PubChem (CID 89313377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).