(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine

C8H15NO — CID 123630207

IUPAC(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine
SMILESCC/C(OC)=C(C)\C=N\C
InChIInChI=1S/C8H15NO/c1-5-8(10-4)7(2)6-9-3/h6H,5H2,1-4H3/b8-7+,9-6+
InChIKeyORIPFYMZIFKRFV-KHHFIZIMSA-N
MW141.21 g/mol
LogP2.02
Rot. Bonds3

About (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine

(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine (PubChem CID 123630207) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine
PubChem CID123630207
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine
SMILESCC/C(OC)=C(C)\C=N\C
InChIInChI=1S/C8H15NO/c1-5-8(10-4)7(2)6-9-3/h6H,5H2,1-4H3/b8-7+,9-6+
InChIKeyORIPFYMZIFKRFV-KHHFIZIMSA-N
XLogP2.02
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 ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine?
The IUPAC name of (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine (CID 123630207) is (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine?
The canonical SMILES for (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine is CC/C(OC)=C(C)\C=N\C.
What is the InChIKey of (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine?
The InChIKey is ORIPFYMZIFKRFV-KHHFIZIMSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(10-4)7(2)6-9-3/h6H,5H2,1-4H3/b8-7+,9-6+.
What are the key properties of (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine?
(E)-3-methoxy-N,2-dimethylpent-2-en-1-imine has a molecular weight of 141.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-N,2-dimethylpent-2-en-1-imine is sourced from PubChem (CID 123630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).