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

C5H12ClNO — CID 71651055

IUPAC3-(aminomethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1CC(O)C1
InChIInChI=1S/C5H11NO.ClH/c6-3-4-1-5(7)2-4;/h4-5,7H,1-3,6H2;1H
InChIKeyNZNRVZGKQUALNR-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.14
Rot. Bonds1

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

3-(aminomethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 71651055) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-(aminomethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)cyclobutan-1-ol;hydrochloride
PubChem CID71651055
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-(aminomethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NCC1CC(O)C1
InChIInChI=1S/C5H11NO.ClH/c6-3-4-1-5(7)2-4;/h4-5,7H,1-3,6H2;1H
InChIKeyNZNRVZGKQUALNR-UHFFFAOYSA-N
XLogP0.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-(aminomethyl)cyclobutan-1-ol;hydrochloride (CID 71651055) is 3-(aminomethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-(aminomethyl)cyclobutan-1-ol;hydrochloride is Cl.NCC1CC(O)C1.
What is the InChIKey of 3-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is NZNRVZGKQUALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-3-4-1-5(7)2-4;/h4-5,7H,1-3,6H2;1H.
What are the key properties of 3-(aminomethyl)cyclobutan-1-ol;hydrochloride?
3-(aminomethyl)cyclobutan-1-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 71651055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).