2-methylbutan-1-amine;hydrochloride

C5H14ClN — CID 72662672

IUPAC2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)CN.Cl
InChIInChI=1S/C5H13N.ClH/c1-3-5(2)4-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyAFKKTHZFBOANFY-UHFFFAOYSA-N
MW123.63 g/mol
LogP1.41
Rot. Bonds2

About 2-methylbutan-1-amine;hydrochloride

2-methylbutan-1-amine;hydrochloride (PubChem CID 72662672) has the molecular formula C5H14ClN and a molecular weight of 123.63 g/mol. Its IUPAC name is 2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methylbutan-1-amine;hydrochloride
PubChem CID72662672
Molecular FormulaC5H14ClN
Molecular Weight123.63 g/mol
Exact Mass123.08
IUPAC Name2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)CN.Cl
InChIInChI=1S/C5H13N.ClH/c1-3-5(2)4-6;/h5H,3-4,6H2,1-2H3;1H
InChIKeyAFKKTHZFBOANFY-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 2-methylbutan-1-amine;hydrochloride?
The IUPAC name of 2-methylbutan-1-amine;hydrochloride (CID 72662672) is 2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 2-methylbutan-1-amine;hydrochloride is CCC(C)CN.Cl.
What is the InChIKey of 2-methylbutan-1-amine;hydrochloride?
The InChIKey is AFKKTHZFBOANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.ClH/c1-3-5(2)4-6;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 2-methylbutan-1-amine;hydrochloride?
2-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 2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 72662672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).