3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride

C6H14ClNO — CID 86775603

IUPAC3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCCC1CC(O)C1
InChIInChI=1S/C6H13NO.ClH/c7-2-1-5-3-6(8)4-5;/h5-6,8H,1-4,7H2;1H
InChIKeyMTKMKFLGNYCBBM-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.53
Rot. Bonds2

About 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride

3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 86775603) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride
PubChem CID86775603
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCCC1CC(O)C1
InChIInChI=1S/C6H13NO.ClH/c7-2-1-5-3-6(8)4-5;/h5-6,8H,1-4,7H2;1H
InChIKeyMTKMKFLGNYCBBM-UHFFFAOYSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride (CID 86775603) is 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride is Cl.NCCC1CC(O)C1.
What is the InChIKey of 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is MTKMKFLGNYCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c7-2-1-5-3-6(8)4-5;/h5-6,8H,1-4,7H2;1H.
What are the key properties of 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride?
3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 86775603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).