(E)-but-2-en-1-amine;hydrochloride

C4H10ClN — CID 12602976

IUPAC(E)-but-2-en-1-amine;hydrochloride
SMILESC/C=C/CN.Cl
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2-3H,4-5H2,1H3;1H/b3-2+;
InChIKeyHNVAXILPAPSDDS-SQQVDAMQSA-N
MW107.58 g/mol
LogP0.94
Rot. Bonds1

About (E)-but-2-en-1-amine;hydrochloride

(E)-but-2-en-1-amine;hydrochloride (PubChem CID 12602976) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is (E)-but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-but-2-en-1-amine;hydrochloride
PubChem CID12602976
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name(E)-but-2-en-1-amine;hydrochloride
SMILESC/C=C/CN.Cl
InChIInChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2-3H,4-5H2,1H3;1H/b3-2+;
InChIKeyHNVAXILPAPSDDS-SQQVDAMQSA-N
XLogP0.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-but-2-en-1-amine;hydrochloride (CID 12602976) is (E)-but-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-but-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-but-2-en-1-amine;hydrochloride is C/C=C/CN.Cl.
What is the InChIKey of (E)-but-2-en-1-amine;hydrochloride?
The InChIKey is HNVAXILPAPSDDS-SQQVDAMQSA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2-3H,4-5H2,1H3;1H/b3-2+;.
What are the key properties of (E)-but-2-en-1-amine;hydrochloride?
(E)-but-2-en-1-amine;hydrochloride has a molecular weight of 107.58 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 12602976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).