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

C5H12ClN — CID 53405415

IUPAC3-methylbut-1-en-1-amine;hydrochloride
SMILESCC(C)C=CN.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3-5H,6H2,1-2H3;1H
InChIKeyRJGZAQZQBPVEEC-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.54
Rot. Bonds1

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

3-methylbut-1-en-1-amine;hydrochloride (PubChem CID 53405415) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 3-methylbut-1-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methylbut-1-en-1-amine;hydrochloride
PubChem CID53405415
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name3-methylbut-1-en-1-amine;hydrochloride
SMILESCC(C)C=CN.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3-5H,6H2,1-2H3;1H
InChIKeyRJGZAQZQBPVEEC-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-en-1-amine;hydrochloride?
The IUPAC name of 3-methylbut-1-en-1-amine;hydrochloride (CID 53405415) is 3-methylbut-1-en-1-amine;hydrochloride.
What is the SMILES notation for 3-methylbut-1-en-1-amine;hydrochloride?
The canonical SMILES for 3-methylbut-1-en-1-amine;hydrochloride is CC(C)C=CN.Cl.
What is the InChIKey of 3-methylbut-1-en-1-amine;hydrochloride?
The InChIKey is RJGZAQZQBPVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5(2)3-4-6;/h3-5H,6H2,1-2H3;1H.
What are the key properties of 3-methylbut-1-en-1-amine;hydrochloride?
3-methylbut-1-en-1-amine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-en-1-amine;hydrochloride is sourced from PubChem (CID 53405415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).