(E)-N-ethoxyprop-1-en-1-amine

C5H11NO — CID 57039949

IUPAC(E)-N-ethoxyprop-1-en-1-amine
SMILESC/C=C/NOCC
InChIInChI=1S/C5H11NO/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+
InChIKeyPTWRTBVXNHQCTL-HWKANZROSA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds3

About (E)-N-ethoxyprop-1-en-1-amine

(E)-N-ethoxyprop-1-en-1-amine (PubChem CID 57039949) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-N-ethoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethoxyprop-1-en-1-amine
PubChem CID57039949
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-N-ethoxyprop-1-en-1-amine
SMILESC/C=C/NOCC
InChIInChI=1S/C5H11NO/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+
InChIKeyPTWRTBVXNHQCTL-HWKANZROSA-N
XLogP1.06
TPSA21.26 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxyprop-1-en-1-amine?
The IUPAC name of (E)-N-ethoxyprop-1-en-1-amine (CID 57039949) is (E)-N-ethoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-N-ethoxyprop-1-en-1-amine?
The canonical SMILES for (E)-N-ethoxyprop-1-en-1-amine is C/C=C/NOCC.
What is the InChIKey of (E)-N-ethoxyprop-1-en-1-amine?
The InChIKey is PTWRTBVXNHQCTL-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-N-ethoxyprop-1-en-1-amine?
(E)-N-ethoxyprop-1-en-1-amine has a molecular weight of 101.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxyprop-1-en-1-amine is sourced from PubChem (CID 57039949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).