(E)-N-ethyl-5-methoxyhept-4-en-3-imine

C10H19NO — CID 176925896

IUPAC(E)-N-ethyl-5-methoxyhept-4-en-3-imine
SMILESCC/N=C(/C=C(\CC)OC)CC
InChIInChI=1S/C10H19NO/c1-5-9(11-7-3)8-10(6-2)12-4/h8H,5-7H2,1-4H3/b10-8+,11-9+
InChIKeyXIPOGSRSPPWGSS-GFULKKFKSA-N
MW169.27 g/mol
LogP2.80
Rot. Bonds5

About (E)-N-ethyl-5-methoxyhept-4-en-3-imine

(E)-N-ethyl-5-methoxyhept-4-en-3-imine (PubChem CID 176925896) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N-ethyl-5-methoxyhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-N-ethyl-5-methoxyhept-4-en-3-imine
PubChem CID176925896
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N-ethyl-5-methoxyhept-4-en-3-imine
SMILESCC/N=C(/C=C(\CC)OC)CC
InChIInChI=1S/C10H19NO/c1-5-9(11-7-3)8-10(6-2)12-4/h8H,5-7H2,1-4H3/b10-8+,11-9+
InChIKeyXIPOGSRSPPWGSS-GFULKKFKSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.80
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'}

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Related Compounds

(4E)-3,5-dimethoxy-2-methylhepta-2,4-diene
CID 142272452
(3Z,5E)-4-bromo-6-methoxyocta-3,5-dien-3-ol
CID 166942881
(Z)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
CID 15475218
(Z)-N-dimethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587349
(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 166498130
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
(2Z,4E,6E)-5,7-dimethoxynona-2,4,6-triene
CID 143436311
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
1-N'-[(3E)-4-methoxyhexa-1,3-dien-2-yl]ethane-1,1-diamine
CID 146336569
(E,2Z)-2-(1-bromopropylidene)-4-methoxyhex-3-enoic acid
CID 121242416
(2E,4E)-5-methoxyhepta-2,4-diene-2-thiol
CID 143901449
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-methoxyhept-4-en-3-imine?
The IUPAC name of (E)-N-ethyl-5-methoxyhept-4-en-3-imine (CID 176925896) is (E)-N-ethyl-5-methoxyhept-4-en-3-imine.
What is the SMILES notation for (E)-N-ethyl-5-methoxyhept-4-en-3-imine?
The canonical SMILES for (E)-N-ethyl-5-methoxyhept-4-en-3-imine is CC/N=C(/C=C(\CC)OC)CC.
What is the InChIKey of (E)-N-ethyl-5-methoxyhept-4-en-3-imine?
The InChIKey is XIPOGSRSPPWGSS-GFULKKFKSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(11-7-3)8-10(6-2)12-4/h8H,5-7H2,1-4H3/b10-8+,11-9+.
What are the key properties of (E)-N-ethyl-5-methoxyhept-4-en-3-imine?
(E)-N-ethyl-5-methoxyhept-4-en-3-imine has a molecular weight of 169.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-methoxyhept-4-en-3-imine is sourced from PubChem (CID 176925896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).