3-ethoxyprop-1-en-2-amine

C5H11NO — CID 145467534

IUPAC3-ethoxyprop-1-en-2-amine
SMILESC=C(N)COCC
InChIInChI=1S/C5H11NO/c1-3-7-4-5(2)6/h2-4,6H2,1H3
InChIKeyJYZTYXLERQRHFH-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.50
Rot. Bonds3

About 3-ethoxyprop-1-en-2-amine

3-ethoxyprop-1-en-2-amine (PubChem CID 145467534) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-ethoxyprop-1-en-2-amine.

Molecular Properties

Compound Name3-ethoxyprop-1-en-2-amine
PubChem CID145467534
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-ethoxyprop-1-en-2-amine
SMILESC=C(N)COCC
InChIInChI=1S/C5H11NO/c1-3-7-4-5(2)6/h2-4,6H2,1H3
InChIKeyJYZTYXLERQRHFH-UHFFFAOYSA-N
XLogP0.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyprop-1-en-2-amine?
The IUPAC name of 3-ethoxyprop-1-en-2-amine (CID 145467534) is 3-ethoxyprop-1-en-2-amine.
What is the SMILES notation for 3-ethoxyprop-1-en-2-amine?
The canonical SMILES for 3-ethoxyprop-1-en-2-amine is C=C(N)COCC.
What is the InChIKey of 3-ethoxyprop-1-en-2-amine?
The InChIKey is JYZTYXLERQRHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-7-4-5(2)6/h2-4,6H2,1H3.
What are the key properties of 3-ethoxyprop-1-en-2-amine?
3-ethoxyprop-1-en-2-amine has a molecular weight of 101.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyprop-1-en-2-amine is sourced from PubChem (CID 145467534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).