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

C5H11NO — CID 56639179

IUPAC(Z)-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-HYXAFXHYSA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds3

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

(Z)-N-ethoxyprop-1-en-1-amine (PubChem CID 56639179) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (Z)-N-ethoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethoxyprop-1-en-1-amine
PubChem CID56639179
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(Z)-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-HYXAFXHYSA-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'}

Analyze (Z)-N-ethoxyprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxyprop-1-en-1-amine?
The IUPAC name of (Z)-N-ethoxyprop-1-en-1-amine (CID 56639179) is (Z)-N-ethoxyprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethoxyprop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethoxyprop-1-en-1-amine is C/C=C\NOCC.
What is the InChIKey of (Z)-N-ethoxyprop-1-en-1-amine?
The InChIKey is PTWRTBVXNHQCTL-HYXAFXHYSA-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 (Z)-N-ethoxyprop-1-en-1-amine?
(Z)-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 (Z)-N-ethoxyprop-1-en-1-amine is sourced from PubChem (CID 56639179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).