3-methylbutan-1-amine;hydrochloride

C5H14ClN — CID 10922

IUPAC3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CCN.Cl
InChIInChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHOMVDRDAAUYWKL-UHFFFAOYSA-N
MW123.63 g/mol
LogP1.41
Rot. Bonds2

About 3-methylbutan-1-amine;hydrochloride

3-methylbutan-1-amine;hydrochloride (PubChem CID 10922) has the molecular formula C5H14ClN and a molecular weight of 123.63 g/mol. Its IUPAC name is 3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methylbutan-1-amine;hydrochloride
PubChem CID10922
Molecular FormulaC5H14ClN
Molecular Weight123.63 g/mol
Exact Mass123.08
IUPAC Name3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CCN.Cl
InChIInChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHOMVDRDAAUYWKL-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.63
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 3-methylbutan-1-amine;hydrochloride (CID 10922) is 3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 3-methylbutan-1-amine;hydrochloride is CC(C)CCN.Cl.
What is the InChIKey of 3-methylbutan-1-amine;hydrochloride?
The InChIKey is HOMVDRDAAUYWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 3-methylbutan-1-amine;hydrochloride?
3-methylbutan-1-amine;hydrochloride has a molecular weight of 123.63 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 10922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).