1-methoxy-3,3,4-trimethylpent-4-en-2-imine

C9H17NO — CID 142560291

IUPAC1-methoxy-3,3,4-trimethylpent-4-en-2-imine
SMILES[H]/N=C(\COC)C(C)(C)C(=C)C
InChIInChI=1S/C9H17NO/c1-7(2)9(3,4)8(10)6-11-5/h10H,1,6H2,2-5H3/b10-8+
InChIKeyXAURIANEZMEJOS-CSKARUKUSA-N
MW155.24 g/mol
LogP2.25
Rot. Bonds4

About 1-methoxy-3,3,4-trimethylpent-4-en-2-imine

1-methoxy-3,3,4-trimethylpent-4-en-2-imine (PubChem CID 142560291) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methoxy-3,3,4-trimethylpent-4-en-2-imine.

Molecular Properties

Compound Name1-methoxy-3,3,4-trimethylpent-4-en-2-imine
PubChem CID142560291
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methoxy-3,3,4-trimethylpent-4-en-2-imine
SMILES[H]/N=C(\COC)C(C)(C)C(=C)C
InChIInChI=1S/C9H17NO/c1-7(2)9(3,4)8(10)6-11-5/h10H,1,6H2,2-5H3/b10-8+
InChIKeyXAURIANEZMEJOS-CSKARUKUSA-N
XLogP2.25
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,3,4-trimethylpent-4-en-2-imine?
The IUPAC name of 1-methoxy-3,3,4-trimethylpent-4-en-2-imine (CID 142560291) is 1-methoxy-3,3,4-trimethylpent-4-en-2-imine.
What is the SMILES notation for 1-methoxy-3,3,4-trimethylpent-4-en-2-imine?
The canonical SMILES for 1-methoxy-3,3,4-trimethylpent-4-en-2-imine is [H]/N=C(\COC)C(C)(C)C(=C)C.
What is the InChIKey of 1-methoxy-3,3,4-trimethylpent-4-en-2-imine?
The InChIKey is XAURIANEZMEJOS-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(3,4)8(10)6-11-5/h10H,1,6H2,2-5H3/b10-8+.
What are the key properties of 1-methoxy-3,3,4-trimethylpent-4-en-2-imine?
1-methoxy-3,3,4-trimethylpent-4-en-2-imine has a molecular weight of 155.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3,4-trimethylpent-4-en-2-imine is sourced from PubChem (CID 142560291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).