(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine

C8H17NO — CID 166041235

IUPAC(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine
SMILESCOC/C=C/CCN(C)C
InChIInChI=1S/C8H17NO/c1-9(2)7-5-4-6-8-10-3/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyUSVDYYWLYZTAQI-GQCTYLIASA-N
MW143.23 g/mol
LogP1.14
Rot. Bonds5

About (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine

(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine (PubChem CID 166041235) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine
PubChem CID166041235
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine
SMILESCOC/C=C/CCN(C)C
InChIInChI=1S/C8H17NO/c1-9(2)7-5-4-6-8-10-3/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKeyUSVDYYWLYZTAQI-GQCTYLIASA-N
XLogP1.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.14
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)-5-methoxy-N,N-dimethylpent-3-en-1-amine?
The IUPAC name of (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine (CID 166041235) is (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine?
The canonical SMILES for (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine is COC/C=C/CCN(C)C.
What is the InChIKey of (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine?
The InChIKey is USVDYYWLYZTAQI-GQCTYLIASA-N. The full InChI is InChI=1S/C8H17NO/c1-9(2)7-5-4-6-8-10-3/h4,6H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine?
(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-N,N-dimethylpent-3-en-1-amine is sourced from PubChem (CID 166041235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).