2-but-2-enoxy-N-prop-2-enylpropan-1-amine

C10H19NO — CID 76946820

IUPAC2-but-2-enoxy-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)OCC=CC
InChIInChI=1S/C10H19NO/c1-4-6-8-12-10(3)9-11-7-5-2/h4-6,10-11H,2,7-9H2,1,3H3
InChIKeyMZMVGQUFKKTWHC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds7

About 2-but-2-enoxy-N-prop-2-enylpropan-1-amine

2-but-2-enoxy-N-prop-2-enylpropan-1-amine (PubChem CID 76946820) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-but-2-enoxy-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-but-2-enoxy-N-prop-2-enylpropan-1-amine
PubChem CID76946820
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-but-2-enoxy-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)OCC=CC
InChIInChI=1S/C10H19NO/c1-4-6-8-12-10(3)9-11-7-5-2/h4-6,10-11H,2,7-9H2,1,3H3
InChIKeyMZMVGQUFKKTWHC-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
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 2-but-2-enoxy-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-but-2-enoxy-N-prop-2-enylpropan-1-amine (CID 76946820) is 2-but-2-enoxy-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-but-2-enoxy-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-but-2-enoxy-N-prop-2-enylpropan-1-amine is C=CCNCC(C)OCC=CC.
What is the InChIKey of 2-but-2-enoxy-N-prop-2-enylpropan-1-amine?
The InChIKey is MZMVGQUFKKTWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-8-12-10(3)9-11-7-5-2/h4-6,10-11H,2,7-9H2,1,3H3.
What are the key properties of 2-but-2-enoxy-N-prop-2-enylpropan-1-amine?
2-but-2-enoxy-N-prop-2-enylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 76946820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).