N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide

C14H24N2O — CID 155416268

IUPACN-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide
SMILESC=C/C(=C\C(\N=C\N(C)CC)=C(/C)CC)OC
InChIInChI=1S/C14H24N2O/c1-7-12(4)14(10-13(8-2)17-6)15-11-16(5)9-3/h8,10-11H,2,7,9H2,1,3-6H3/b13-10+,14-12-,15-11+
InChIKeyKJCFZOPSJWDLJN-BCPVJRNGSA-N
MW236.36 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide

N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide (PubChem CID 155416268) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide
PubChem CID155416268
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide
SMILESC=C/C(=C\C(\N=C\N(C)CC)=C(/C)CC)OC
InChIInChI=1S/C14H24N2O/c1-7-12(4)14(10-13(8-2)17-6)15-11-16(5)9-3/h8,10-11H,2,7,9H2,1,3-6H3/b13-10+,14-12-,15-11+
InChIKeyKJCFZOPSJWDLJN-BCPVJRNGSA-N
XLogP3.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.37
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide (CID 155416268) is N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide is C=C/C(=C\C(\N=C\N(C)CC)=C(/C)CC)OC.
What is the InChIKey of N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide?
The InChIKey is KJCFZOPSJWDLJN-BCPVJRNGSA-N. The full InChI is InChI=1S/C14H24N2O/c1-7-12(4)14(10-13(8-2)17-6)15-11-16(5)9-3/h8,10-11H,2,7,9H2,1,3-6H3/b13-10+,14-12-,15-11+.
What are the key properties of N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide?
N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide has a molecular weight of 236.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3Z,5E)-6-methoxy-3-methylocta-3,5,7-trien-4-yl]-N-methylmethanimidamide is sourced from PubChem (CID 155416268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).