N-ethoxy-4-methylpent-3-en-2-imine

C8H15NO — CID 91748337

IUPACN-ethoxy-4-methylpent-3-en-2-imine
SMILESCCON=C(C)C=C(C)C
InChIInChI=1S/C8H15NO/c1-5-10-9-8(4)6-7(2)3/h6H,5H2,1-4H3
InChIKeyLKCIEPVYJASXJH-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds3

About N-ethoxy-4-methylpent-3-en-2-imine

N-ethoxy-4-methylpent-3-en-2-imine (PubChem CID 91748337) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethoxy-4-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-ethoxy-4-methylpent-3-en-2-imine
PubChem CID91748337
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethoxy-4-methylpent-3-en-2-imine
SMILESCCON=C(C)C=C(C)C
InChIInChI=1S/C8H15NO/c1-5-10-9-8(4)6-7(2)3/h6H,5H2,1-4H3
InChIKeyLKCIEPVYJASXJH-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Penten-2-one, 3-methyl-, O-methyloxime
CID 9601404
3-Hepten-2-one, O-methyloxime
CID 9601360
(E)-N-methoxy-4-methylpent-3-en-2-imine
CID 88741977
N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine
CID 10975690
N-ethoxycyclohexa-2,5-dien-1-imine
CID 19708078
(E,E)-N-ethoxypent-3-en-2-imine
CID 58591598
(E,E)-N-prop-2-enoxypent-3-en-2-imine
CID 58591599
(E,E)-N-prop-2-ynoxypent-3-en-2-imine
CID 58591603
(E)-N-ethoxy-3-methylcyclopent-2-en-1-imine
CID 58591612
4-Methyl-3-penten-2-one O-methyl oxime
CID 71438516
N-ethoxypent-3-en-2-imine
CID 76825449
N-prop-2-enoxypent-3-en-2-imine
CID 76825450

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methylpent-3-en-2-imine?
The IUPAC name of N-ethoxy-4-methylpent-3-en-2-imine (CID 91748337) is N-ethoxy-4-methylpent-3-en-2-imine.
What is the SMILES notation for N-ethoxy-4-methylpent-3-en-2-imine?
The canonical SMILES for N-ethoxy-4-methylpent-3-en-2-imine is CCON=C(C)C=C(C)C.
What is the InChIKey of N-ethoxy-4-methylpent-3-en-2-imine?
The InChIKey is LKCIEPVYJASXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-10-9-8(4)6-7(2)3/h6H,5H2,1-4H3.
What are the key properties of N-ethoxy-4-methylpent-3-en-2-imine?
N-ethoxy-4-methylpent-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methylpent-3-en-2-imine is sourced from PubChem (CID 91748337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).