(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine

C10H17NO2 — CID 123362331

IUPAC(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine
SMILESC=C(/C=C(\C/C(C)=N/C)OC)OC
InChIInChI=1S/C10H17NO2/c1-8(11-3)6-10(13-5)7-9(2)12-4/h7H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyLMBTUYGXRLPXGB-AMMQDNIMSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds5

About (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine

(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine (PubChem CID 123362331) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine
PubChem CID123362331
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine
SMILESC=C(/C=C(\C/C(C)=N/C)OC)OC
InChIInChI=1S/C10H17NO2/c1-8(11-3)6-10(13-5)7-9(2)12-4/h7H,2,6H2,1,3-5H3/b10-7+,11-8+
InChIKeyLMBTUYGXRLPXGB-AMMQDNIMSA-N
XLogP2.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(5-methoxy-2-methylcyclohepta-1,3,5-trien-1-yl)-N-methylethanimine
CID 91218426
(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
(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine
CID 143787771
(E)-6-methoxy-N,8-dimethyl-7-methylidenenon-5-en-4-imine
CID 146670112
(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 176978983
(5E,7E)-6,7-dimethoxy-10-methyl-2,3,4,9-tetrahydroazecine
CID 141891476
(3E,5Z)-5-methoxy-N-methylocta-3,5,7-trien-2-imine
CID 142918153

Frequently Asked Questions

What is the IUPAC name of (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine?
The IUPAC name of (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine (CID 123362331) is (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine.
What is the SMILES notation for (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine?
The canonical SMILES for (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine is C=C(/C=C(\C/C(C)=N/C)OC)OC.
What is the InChIKey of (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine?
The InChIKey is LMBTUYGXRLPXGB-AMMQDNIMSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(11-3)6-10(13-5)7-9(2)12-4/h7H,2,6H2,1,3-5H3/b10-7+,11-8+.
What are the key properties of (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine?
(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine has a molecular weight of 183.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine is sourced from PubChem (CID 123362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).