[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride

C7H16ClNO — CID 155893033

IUPAC[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
SMILESCC(N)C1(CO)CCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7(5-9)3-2-4-7;/h6,9H,2-5,8H2,1H3;1H
InChIKeyIGYITGZCCGBLDR-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds2

About [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride

[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride (PubChem CID 155893033) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
PubChem CID155893033
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
SMILESCC(N)C1(CO)CCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(8)7(5-9)3-2-4-7;/h6,9H,2-5,8H2,1H3;1H
InChIKeyIGYITGZCCGBLDR-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride?
The IUPAC name of [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride (CID 155893033) is [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride.
What is the SMILES notation for [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride?
The canonical SMILES for [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride is CC(N)C1(CO)CCC1.Cl.
What is the InChIKey of [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride?
The InChIKey is IGYITGZCCGBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6(8)7(5-9)3-2-4-7;/h6,9H,2-5,8H2,1H3;1H.
What are the key properties of [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride?
[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride is sourced from PubChem (CID 155893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).