3-but-3-enoxy-N-ethylpropan-1-amine

C9H19NO — CID 62440752

IUPAC3-but-3-enoxy-N-ethylpropan-1-amine
SMILESC=CCCOCCCNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h3,10H,1,4-9H2,2H3
InChIKeyUAWJNZCSLGORAR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds8

About 3-but-3-enoxy-N-ethylpropan-1-amine

3-but-3-enoxy-N-ethylpropan-1-amine (PubChem CID 62440752) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-but-3-enoxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-enoxy-N-ethylpropan-1-amine
PubChem CID62440752
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-but-3-enoxy-N-ethylpropan-1-amine
SMILESC=CCCOCCCNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h3,10H,1,4-9H2,2H3
InChIKeyUAWJNZCSLGORAR-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-N-ethylpropan-1-amine?
The IUPAC name of 3-but-3-enoxy-N-ethylpropan-1-amine (CID 62440752) is 3-but-3-enoxy-N-ethylpropan-1-amine.
What is the SMILES notation for 3-but-3-enoxy-N-ethylpropan-1-amine?
The canonical SMILES for 3-but-3-enoxy-N-ethylpropan-1-amine is C=CCCOCCCNCC.
What is the InChIKey of 3-but-3-enoxy-N-ethylpropan-1-amine?
The InChIKey is UAWJNZCSLGORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of 3-but-3-enoxy-N-ethylpropan-1-amine?
3-but-3-enoxy-N-ethylpropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-N-ethylpropan-1-amine is sourced from PubChem (CID 62440752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).