(3-aminocyclobutyl)methanol;hydrochloride

C5H12ClNO — CID 19794279

IUPAC(3-aminocyclobutyl)methanol;hydrochloride
SMILESCl.NC1CC(CO)C1
InChIInChI=1S/C5H11NO.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H
InChIKeyNGVZDZFNCCGDGQ-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.14
Rot. Bonds1

About (3-aminocyclobutyl)methanol;hydrochloride

(3-aminocyclobutyl)methanol;hydrochloride (PubChem CID 19794279) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (3-aminocyclobutyl)methanol;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclobutyl)methanol;hydrochloride
PubChem CID19794279
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(3-aminocyclobutyl)methanol;hydrochloride
SMILESCl.NC1CC(CO)C1
InChIInChI=1S/C5H11NO.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H
InChIKeyNGVZDZFNCCGDGQ-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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Related Compounds

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(1r,3r)-3-(Aminomethyl)cyclobutan-1-ol hydrochloride
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Rac-[(1s,3s)-3-(aminomethyl)cyclobutyl]methanol hydrochloride
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2-Amino-2-cyclobutylethan-1-ol hydrochloride
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(3-Amino-1-fluorocyclobutyl)methanol;hydrochloride
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(4S)-4-aminopentan-1-ol hydrochloride
CID 170901051
(4R)-4-aminopentan-1-ol hydrochloride
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[3-Amino-1-(hydroxymethyl)cyclobutyl]methanol hydrochloride
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[3-(Methylamino)cyclobutyl]methanol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)methanol;hydrochloride?
The IUPAC name of (3-aminocyclobutyl)methanol;hydrochloride (CID 19794279) is (3-aminocyclobutyl)methanol;hydrochloride.
What is the SMILES notation for (3-aminocyclobutyl)methanol;hydrochloride?
The canonical SMILES for (3-aminocyclobutyl)methanol;hydrochloride is Cl.NC1CC(CO)C1.
What is the InChIKey of (3-aminocyclobutyl)methanol;hydrochloride?
The InChIKey is NGVZDZFNCCGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H.
What are the key properties of (3-aminocyclobutyl)methanol;hydrochloride?
(3-aminocyclobutyl)methanol;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-aminocyclobutyl)methanol;hydrochloride is sourced from PubChem (CID 19794279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).