1-methoxy-N,4-dimethylpent-3-en-2-imine

C8H15NO — CID 130234002

IUPAC1-methoxy-N,4-dimethylpent-3-en-2-imine
SMILESC/N=C(/C=C(C)C)COC
InChIInChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5H,6H2,1-4H3/b9-8-
InChIKeyHUMRCCKBCQSSBT-HJWRWDBZSA-N
MW141.21 g/mol
LogP1.67
Rot. Bonds3

About 1-methoxy-N,4-dimethylpent-3-en-2-imine

1-methoxy-N,4-dimethylpent-3-en-2-imine (PubChem CID 130234002) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methoxy-N,4-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name1-methoxy-N,4-dimethylpent-3-en-2-imine
PubChem CID130234002
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methoxy-N,4-dimethylpent-3-en-2-imine
SMILESC/N=C(/C=C(C)C)COC
InChIInChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5H,6H2,1-4H3/b9-8-
InChIKeyHUMRCCKBCQSSBT-HJWRWDBZSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,4-dimethylpent-3-en-2-imine?
The IUPAC name of 1-methoxy-N,4-dimethylpent-3-en-2-imine (CID 130234002) is 1-methoxy-N,4-dimethylpent-3-en-2-imine.
What is the SMILES notation for 1-methoxy-N,4-dimethylpent-3-en-2-imine?
The canonical SMILES for 1-methoxy-N,4-dimethylpent-3-en-2-imine is C/N=C(/C=C(C)C)COC.
What is the InChIKey of 1-methoxy-N,4-dimethylpent-3-en-2-imine?
The InChIKey is HUMRCCKBCQSSBT-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-8(9-3)6-10-4/h5H,6H2,1-4H3/b9-8-.
What are the key properties of 1-methoxy-N,4-dimethylpent-3-en-2-imine?
1-methoxy-N,4-dimethylpent-3-en-2-imine has a molecular weight of 141.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,4-dimethylpent-3-en-2-imine is sourced from PubChem (CID 130234002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).