2-but-3-en-2-yloxy-N,N-dimethylethanamine

C8H17NO — CID 167055846

IUPAC2-but-3-en-2-yloxy-N,N-dimethylethanamine
SMILESC=CC(C)OCCN(C)C
InChIInChI=1S/C8H17NO/c1-5-8(2)10-7-6-9(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyXGOAAQWOBSSOSH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.14
Rot. Bonds5

About 2-but-3-en-2-yloxy-N,N-dimethylethanamine

2-but-3-en-2-yloxy-N,N-dimethylethanamine (PubChem CID 167055846) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-N,N-dimethylethanamine
PubChem CID167055846
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-but-3-en-2-yloxy-N,N-dimethylethanamine
SMILESC=CC(C)OCCN(C)C
InChIInChI=1S/C8H17NO/c1-5-8(2)10-7-6-9(3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyXGOAAQWOBSSOSH-UHFFFAOYSA-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 2-but-3-en-2-yloxy-N,N-dimethylethanamine?
The IUPAC name of 2-but-3-en-2-yloxy-N,N-dimethylethanamine (CID 167055846) is 2-but-3-en-2-yloxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-but-3-en-2-yloxy-N,N-dimethylethanamine?
The canonical SMILES for 2-but-3-en-2-yloxy-N,N-dimethylethanamine is C=CC(C)OCCN(C)C.
What is the InChIKey of 2-but-3-en-2-yloxy-N,N-dimethylethanamine?
The InChIKey is XGOAAQWOBSSOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(2)10-7-6-9(3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 2-but-3-en-2-yloxy-N,N-dimethylethanamine?
2-but-3-en-2-yloxy-N,N-dimethylethanamine 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 2-but-3-en-2-yloxy-N,N-dimethylethanamine is sourced from PubChem (CID 167055846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).