1-methylcyclobutan-1-amine;hydrochloride

C5H12ClN — CID 18332449

IUPAC1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(6)3-2-4-5;/h2-4,6H2,1H3;1H
InChIKeyJMAQUGPYTWILQY-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.31
Rot. Bonds

About 1-methylcyclobutan-1-amine;hydrochloride

1-methylcyclobutan-1-amine;hydrochloride (PubChem CID 18332449) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 1-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-methylcyclobutan-1-amine;hydrochloride
PubChem CID18332449
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name1-methylcyclobutan-1-amine;hydrochloride
SMILESCC1(N)CCC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(6)3-2-4-5;/h2-4,6H2,1H3;1H
InChIKeyJMAQUGPYTWILQY-UHFFFAOYSA-N
XLogP1.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-methylcyclobutan-1-amine;hydrochloride (CID 18332449) is 1-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-methylcyclobutan-1-amine;hydrochloride is CC1(N)CCC1.Cl.
What is the InChIKey of 1-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is JMAQUGPYTWILQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5(6)3-2-4-5;/h2-4,6H2,1H3;1H.
What are the key properties of 1-methylcyclobutan-1-amine;hydrochloride?
1-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 18332449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).