3-methylbut-2-en-1-amine;hydrochloride

C5H12ClN — CID 18326564

IUPAC3-methylbut-2-en-1-amine;hydrochloride
SMILESCC(C)=CCN.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3H,4,6H2,1-2H3;1H
InChIKeyGBGNQLGJDQJQLJ-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.33
Rot. Bonds1

About 3-methylbut-2-en-1-amine;hydrochloride

3-methylbut-2-en-1-amine;hydrochloride (PubChem CID 18326564) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 3-methylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methylbut-2-en-1-amine;hydrochloride
PubChem CID18326564
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name3-methylbut-2-en-1-amine;hydrochloride
SMILESCC(C)=CCN.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3H,4,6H2,1-2H3;1H
InChIKeyGBGNQLGJDQJQLJ-UHFFFAOYSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.33
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 3-methylbut-2-en-1-amine;hydrochloride?
The IUPAC name of 3-methylbut-2-en-1-amine;hydrochloride (CID 18326564) is 3-methylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3-methylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for 3-methylbut-2-en-1-amine;hydrochloride is CC(C)=CCN.Cl.
What is the InChIKey of 3-methylbut-2-en-1-amine;hydrochloride?
The InChIKey is GBGNQLGJDQJQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3H,4,6H2,1-2H3;1H.
What are the key properties of 3-methylbut-2-en-1-amine;hydrochloride?
3-methylbut-2-en-1-amine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 18326564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).