but-3-en-2-amine;hydrochloride

C4H10ClN — CID 18185425

IUPACbut-3-en-2-amine;hydrochloride
SMILESC=CC(C)N.Cl
InChIInChI=1S/C4H9N.ClH/c1-3-4(2)5;/h3-4H,1,5H2,2H3;1H
InChIKeyHRJVNHUMBUVTND-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.94
Rot. Bonds1

About but-3-en-2-amine;hydrochloride

but-3-en-2-amine;hydrochloride (PubChem CID 18185425) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is but-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Namebut-3-en-2-amine;hydrochloride
PubChem CID18185425
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Namebut-3-en-2-amine;hydrochloride
SMILESC=CC(C)N.Cl
InChIInChI=1S/C4H9N.ClH/c1-3-4(2)5;/h3-4H,1,5H2,2H3;1H
InChIKeyHRJVNHUMBUVTND-UHFFFAOYSA-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 but-3-en-2-amine;hydrochloride?
The IUPAC name of but-3-en-2-amine;hydrochloride (CID 18185425) is but-3-en-2-amine;hydrochloride.
What is the SMILES notation for but-3-en-2-amine;hydrochloride?
The canonical SMILES for but-3-en-2-amine;hydrochloride is C=CC(C)N.Cl.
What is the InChIKey of but-3-en-2-amine;hydrochloride?
The InChIKey is HRJVNHUMBUVTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-3-4(2)5;/h3-4H,1,5H2,2H3;1H.
What are the key properties of but-3-en-2-amine;hydrochloride?
but-3-en-2-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 but-3-en-2-amine;hydrochloride is sourced from PubChem (CID 18185425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).