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

C6H14ClNO2 — CID 167730227

IUPAC1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1(O)CC(CO)C1
InChIInChI=1S/C6H13NO2.ClH/c7-4-6(9)1-5(2-6)3-8;/h5,8-9H,1-4,7H2;1H
InChIKeyBESLCPQKFAYHPU-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.50
Rot. Bonds2

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

1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 167730227) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
PubChem CID167730227
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1(O)CC(CO)C1
InChIInChI=1S/C6H13NO2.ClH/c7-4-6(9)1-5(2-6)3-8;/h5,8-9H,1-4,7H2;1H
InChIKeyBESLCPQKFAYHPU-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 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride (CID 167730227) is 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride is Cl.NCC1(O)CC(CO)C1.
What is the InChIKey of 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is BESLCPQKFAYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c7-4-6(9)1-5(2-6)3-8;/h5,8-9H,1-4,7H2;1H.
What are the key properties of 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride?
1-(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 1-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 167730227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).