3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride

C6H14ClNO2 — CID 120999861

IUPAC3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1(CO)CC(O)C1
InChIInChI=1S/C6H13NO2.ClH/c7-3-6(4-8)1-5(9)2-6;/h5,8-9H,1-4,7H2;1H
InChIKeyIUXMNGSPILPHON-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.50
Rot. Bonds2

About 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride

3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 120999861) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
PubChem CID120999861
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1(CO)CC(O)C1
InChIInChI=1S/C6H13NO2.ClH/c7-3-6(4-8)1-5(9)2-6;/h5,8-9H,1-4,7H2;1H
InChIKeyIUXMNGSPILPHON-UHFFFAOYSA-N
XLogP-0.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride (CID 120999861) is 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride is Cl.NCC1(CO)CC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is IUXMNGSPILPHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c7-3-6(4-8)1-5(9)2-6;/h5,8-9H,1-4,7H2;1H.
What are the key properties of 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 120999861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).