1-cyclobutylethanamine;hydrochloride

C6H14ClN — CID 66636997

IUPAC1-cyclobutylethanamine;hydrochloride
SMILESCC(N)C1CCC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-5(7)6-3-2-4-6;/h5-6H,2-4,7H2,1H3;1H
InChIKeyWLHYWKUHCPUOOO-UHFFFAOYSA-N
MW135.64 g/mol
LogP1.56
Rot. Bonds1

About 1-cyclobutylethanamine;hydrochloride

1-cyclobutylethanamine;hydrochloride (PubChem CID 66636997) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is 1-cyclobutylethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclobutylethanamine;hydrochloride
PubChem CID66636997
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name1-cyclobutylethanamine;hydrochloride
SMILESCC(N)C1CCC1.Cl
InChIInChI=1S/C6H13N.ClH/c1-5(7)6-3-2-4-6;/h5-6H,2-4,7H2,1H3;1H
InChIKeyWLHYWKUHCPUOOO-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylethanamine;hydrochloride?
The IUPAC name of 1-cyclobutylethanamine;hydrochloride (CID 66636997) is 1-cyclobutylethanamine;hydrochloride.
What is the SMILES notation for 1-cyclobutylethanamine;hydrochloride?
The canonical SMILES for 1-cyclobutylethanamine;hydrochloride is CC(N)C1CCC1.Cl.
What is the InChIKey of 1-cyclobutylethanamine;hydrochloride?
The InChIKey is WLHYWKUHCPUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-5(7)6-3-2-4-6;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of 1-cyclobutylethanamine;hydrochloride?
1-cyclobutylethanamine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethanamine;hydrochloride is sourced from PubChem (CID 66636997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).