(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine

C8H13NO — CID 123834616

IUPAC(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\C)OC
InChIInChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyIQLHJDMQLRYJIU-BZWSEGBZSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds3

About (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine

(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine (PubChem CID 123834616) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
PubChem CID123834616
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine
SMILESC=C(/C=C\C(C)=N\C)OC
InChIInChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyIQLHJDMQLRYJIU-BZWSEGBZSA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-5-methoxy-N-methylhexa-3,5-dien-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

Related Compounds

6-Methoxy-2-methyl-3H-azepine
CID 71424990
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
CID 142928979
5-methoxy-2H-benzimidazole
CID 22891148
4-methoxy-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89299878
(3Z)-5-methoxyhepta-3,5-dien-2-imine
CID 91044401
1-(5-methoxy-2-methylcyclohepta-1,3,5-trien-1-yl)-N-methylethanimine
CID 91218426
(3E,5Z)-4-methoxyhepta-3,5-dien-2-imine
CID 117718961
(Z)-5-methoxy-N-methylhex-3-en-2-imine
CID 123336565
(4Z)-6-methoxyhepta-4,6-dien-3-imine
CID 123937033
(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine
CID 134555754
(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 142275833
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine;ethane
CID 142928978

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine (CID 123834616) is (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine is C=C(/C=C\C(C)=N\C)OC.
What is the InChIKey of (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine?
The InChIKey is IQLHJDMQLRYJIU-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(9-3)5-6-8(2)10-4/h5-6H,2H2,1,3-4H3/b6-5-,9-7+.
What are the key properties of (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine?
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine has a molecular weight of 139.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 123834616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).