3-ethyl-4-methoxypent-3-en-2-imine

C8H15NO — CID 123969221

IUPAC3-ethyl-4-methoxypent-3-en-2-imine
SMILES[H]/N=C(\C)C(CC)=C(C)OC
InChIInChI=1S/C8H15NO/c1-5-8(6(2)9)7(3)10-4/h9H,5H2,1-4H3/b8-7?,9-6+
InChIKeyCUEGGEPDNFQYGM-JTHIGBGISA-N
MW141.21 g/mol
LogP2.36
Rot. Bonds3

About 3-ethyl-4-methoxypent-3-en-2-imine

3-ethyl-4-methoxypent-3-en-2-imine (PubChem CID 123969221) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-ethyl-4-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name3-ethyl-4-methoxypent-3-en-2-imine
PubChem CID123969221
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-ethyl-4-methoxypent-3-en-2-imine
SMILES[H]/N=C(\C)C(CC)=C(C)OC
InChIInChI=1S/C8H15NO/c1-5-8(6(2)9)7(3)10-4/h9H,5H2,1-4H3/b8-7?,9-6+
InChIKeyCUEGGEPDNFQYGM-JTHIGBGISA-N
XLogP2.36
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
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

(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
(E)-3-methoxy-4-methylhex-3-en-2-imine
CID 91549951
(4E)-5-methoxy-2-methylhepta-1,4-dien-3-imine
CID 123561116
(Z)-3-methyl-4-propan-2-yloxypent-3-en-2-imine
CID 135276254
(4Z)-5-methoxy-4-methylhexa-1,4-dien-3-imine
CID 166965269
(Z)-4-methoxy-N,3-dimethylpent-3-en-2-imine
CID 20682781

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxypent-3-en-2-imine?
The IUPAC name of 3-ethyl-4-methoxypent-3-en-2-imine (CID 123969221) is 3-ethyl-4-methoxypent-3-en-2-imine.
What is the SMILES notation for 3-ethyl-4-methoxypent-3-en-2-imine?
The canonical SMILES for 3-ethyl-4-methoxypent-3-en-2-imine is [H]/N=C(\C)C(CC)=C(C)OC.
What is the InChIKey of 3-ethyl-4-methoxypent-3-en-2-imine?
The InChIKey is CUEGGEPDNFQYGM-JTHIGBGISA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(6(2)9)7(3)10-4/h9H,5H2,1-4H3/b8-7?,9-6+.
What are the key properties of 3-ethyl-4-methoxypent-3-en-2-imine?
3-ethyl-4-methoxypent-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxypent-3-en-2-imine is sourced from PubChem (CID 123969221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).