3-butoxy-N-ethylprop-1-en-1-amine

C9H19NO — CID 150350485

IUPAC3-butoxy-N-ethylprop-1-en-1-amine
SMILESCCCCOCC=CNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyGTQGEFCRWLEXOZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds7

About 3-butoxy-N-ethylprop-1-en-1-amine

3-butoxy-N-ethylprop-1-en-1-amine (PubChem CID 150350485) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butoxy-N-ethylprop-1-en-1-amine.

Molecular Properties

Compound Name3-butoxy-N-ethylprop-1-en-1-amine
PubChem CID150350485
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butoxy-N-ethylprop-1-en-1-amine
SMILESCCCCOCC=CNCC
InChIInChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyGTQGEFCRWLEXOZ-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethylprop-1-en-1-amine?
The IUPAC name of 3-butoxy-N-ethylprop-1-en-1-amine (CID 150350485) is 3-butoxy-N-ethylprop-1-en-1-amine.
What is the SMILES notation for 3-butoxy-N-ethylprop-1-en-1-amine?
The canonical SMILES for 3-butoxy-N-ethylprop-1-en-1-amine is CCCCOCC=CNCC.
What is the InChIKey of 3-butoxy-N-ethylprop-1-en-1-amine?
The InChIKey is GTQGEFCRWLEXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8-11-9-6-7-10-4-2/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3-butoxy-N-ethylprop-1-en-1-amine?
3-butoxy-N-ethylprop-1-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethylprop-1-en-1-amine is sourced from PubChem (CID 150350485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).