(Z)-2-ethoxybut-2-en-1-amine;hydrochloride

C6H14ClNO — CID 174576763

IUPAC(Z)-2-ethoxybut-2-en-1-amine;hydrochloride
SMILESC/C=C(/CN)OCC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-6(5-7)8-4-2;/h3H,4-5,7H2,1-2H3;1H/b6-3-;
InChIKeyVZJLPCVIEXJMLO-AQPBACSKSA-N
MW151.64 g/mol
LogP1.31
Rot. Bonds3

About (Z)-2-ethoxybut-2-en-1-amine;hydrochloride

(Z)-2-ethoxybut-2-en-1-amine;hydrochloride (PubChem CID 174576763) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (Z)-2-ethoxybut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2-ethoxybut-2-en-1-amine;hydrochloride
PubChem CID174576763
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(Z)-2-ethoxybut-2-en-1-amine;hydrochloride
SMILESC/C=C(/CN)OCC.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-6(5-7)8-4-2;/h3H,4-5,7H2,1-2H3;1H/b6-3-;
InChIKeyVZJLPCVIEXJMLO-AQPBACSKSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxybut-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-2-ethoxybut-2-en-1-amine;hydrochloride (CID 174576763) is (Z)-2-ethoxybut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-2-ethoxybut-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-2-ethoxybut-2-en-1-amine;hydrochloride is C/C=C(/CN)OCC.Cl.
What is the InChIKey of (Z)-2-ethoxybut-2-en-1-amine;hydrochloride?
The InChIKey is VZJLPCVIEXJMLO-AQPBACSKSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-6(5-7)8-4-2;/h3H,4-5,7H2,1-2H3;1H/b6-3-;.
What are the key properties of (Z)-2-ethoxybut-2-en-1-amine;hydrochloride?
(Z)-2-ethoxybut-2-en-1-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxybut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 174576763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).