(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine

C10H15NO — CID 142918153

IUPAC(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine
SMILESC=C/C=C(/C=C/C(C)=N/C)OC
InChIInChI=1S/C10H15NO/c1-5-6-10(12-4)8-7-9(2)11-3/h5-8H,1H2,2-4H3/b8-7+,10-6-,11-9+
InChIKeyAJSWPAZNFAZVIJ-KTXBIABASA-N
MW165.24 g/mol
LogP2.35
Rot. Bonds4

About (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine

(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine (PubChem CID 142918153) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine
PubChem CID142918153
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine
SMILESC=C/C=C(/C=C/C(C)=N/C)OC
InChIInChI=1S/C10H15NO/c1-5-6-10(12-4)8-7-9(2)11-3/h5-8H,1H2,2-4H3/b8-7+,10-6-,11-9+
InChIKeyAJSWPAZNFAZVIJ-KTXBIABASA-N
XLogP2.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.35
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'}

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Related Compounds

(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
CID 142928979
5-methoxy-2H-benzimidazole
CID 22891148
Dimethyl-(4-pyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium iodide
CID 88103445
5,6-dimethoxy-N-methylcyclohexa-2,3,5-trien-1-imine
CID 88982129
4-methoxy-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89299878
(NE)-N-[(3E,5Z)-4-methoxyhepta-3,5-dien-2-ylidene]hydroxylamine
CID 89775913
(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
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
(Z)-5-methoxy-N-methylhex-3-en-2-imine
CID 123336565
(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine
CID 123362331

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine?
The IUPAC name of (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine (CID 142918153) is (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine.
What is the SMILES notation for (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine?
The canonical SMILES for (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine is C=C/C=C(/C=C/C(C)=N/C)OC.
What is the InChIKey of (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine?
The InChIKey is AJSWPAZNFAZVIJ-KTXBIABASA-N. The full InChI is InChI=1S/C10H15NO/c1-5-6-10(12-4)8-7-9(2)11-3/h5-8H,1H2,2-4H3/b8-7+,10-6-,11-9+.
What are the key properties of (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine?
(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine has a molecular weight of 165.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine is sourced from PubChem (CID 142918153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).