(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine

C7H15NO — CID 88964387

IUPAC(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine
SMILESCOC/C=C/CN(C)C
InChIInChI=1S/C7H15NO/c1-8(2)6-4-5-7-9-3/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyOSADLRJTPFTUOX-SNAWJCMRSA-N
MW129.20 g/mol
LogP0.75
Rot. Bonds4

About (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine

(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine (PubChem CID 88964387) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine
PubChem CID88964387
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine
SMILESCOC/C=C/CN(C)C
InChIInChI=1S/C7H15NO/c1-8(2)6-4-5-7-9-3/h4-5H,6-7H2,1-3H3/b5-4+
InChIKeyOSADLRJTPFTUOX-SNAWJCMRSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine?
The IUPAC name of (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine (CID 88964387) is (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine?
The canonical SMILES for (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine is COC/C=C/CN(C)C.
What is the InChIKey of (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine?
The InChIKey is OSADLRJTPFTUOX-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H15NO/c1-8(2)6-4-5-7-9-3/h4-5H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine?
(E)-4-methoxy-N,N-dimethylbut-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N,N-dimethylbut-2-en-1-amine is sourced from PubChem (CID 88964387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).