1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine

C7H15NO — CID 143227137

IUPAC1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine
SMILESC/C=C\COCN(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-7-8(2)3/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyIDOYDAXRRFYBDF-PLNGDYQASA-N
MW129.20 g/mol
LogP1.10
Rot. Bonds4

About 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine

1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine (PubChem CID 143227137) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine
PubChem CID143227137
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine
SMILESC/C=C\COCN(C)C
InChIInChI=1S/C7H15NO/c1-4-5-6-9-7-8(2)3/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyIDOYDAXRRFYBDF-PLNGDYQASA-N
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine (CID 143227137) is 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine is C/C=C\COCN(C)C.
What is the InChIKey of 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine?
The InChIKey is IDOYDAXRRFYBDF-PLNGDYQASA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-9-7-8(2)3/h4-5H,6-7H2,1-3H3/b5-4-.
What are the key properties of 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine?
1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine has a molecular weight of 129.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 143227137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).