(Z)-3-ethoxybut-2-en-2-amine

C6H13NO — CID 143750764

IUPAC(Z)-3-ethoxybut-2-en-2-amine
SMILESCCO/C(C)=C(/C)N
InChIInChI=1S/C6H13NO/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-
InChIKeyMXOGSTUMXBTZOO-WAYWQWQTSA-N
MW115.18 g/mol
LogP1.23
Rot. Bonds2

About (Z)-3-ethoxybut-2-en-2-amine

(Z)-3-ethoxybut-2-en-2-amine (PubChem CID 143750764) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-3-ethoxybut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-ethoxybut-2-en-2-amine
PubChem CID143750764
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-3-ethoxybut-2-en-2-amine
SMILESCCO/C(C)=C(/C)N
InChIInChI=1S/C6H13NO/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-
InChIKeyMXOGSTUMXBTZOO-WAYWQWQTSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(Z)-3-aminobut-2-en-2-yl]oxybut-2-en-2-amine
CID 88259588
(Z)-3-prop-1-en-2-yloxybut-2-en-2-amine
CID 88884456
(Z)-3-methoxybut-2-en-2-amine
CID 130248747
(Z)-1-[(Z)-but-2-en-2-yl]oxyprop-1-en-2-amine
CID 138645319
(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 142107296
ethane;(Z)-3-ethoxybut-2-en-2-amine
CID 143750763
(Z)-1-prop-1-en-2-yloxyprop-1-en-2-amine
CID 144218635
(E)-3-ethoxybut-2-en-2-amine
CID 145606847
CID 174036311
CID 174036311
CID 178682510
CID 178682510

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxybut-2-en-2-amine?
The IUPAC name of (Z)-3-ethoxybut-2-en-2-amine (CID 143750764) is (Z)-3-ethoxybut-2-en-2-amine.
What is the SMILES notation for (Z)-3-ethoxybut-2-en-2-amine?
The canonical SMILES for (Z)-3-ethoxybut-2-en-2-amine is CCO/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-ethoxybut-2-en-2-amine?
The InChIKey is MXOGSTUMXBTZOO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-6(3)5(2)7/h4,7H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-ethoxybut-2-en-2-amine?
(Z)-3-ethoxybut-2-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxybut-2-en-2-amine is sourced from PubChem (CID 143750764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).