(1-hydroxy-3-methylcyclobutyl)azanium chloride

C5H12ClNO — CID 140571365

IUPAC(1-hydroxy-3-methylcyclobutyl)azanium chloride
SMILESCC1CC([NH3+])(O)C1.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c1-4-2-5(6,7)3-4;/h4,7H,2-3,6H2,1H3;1H
InChIKeyAYCLBGUDSCBKPT-UHFFFAOYSA-N
MW137.61 g/mol
LogP-3.65
Rot. Bonds

About (1-hydroxy-3-methylcyclobutyl)azanium chloride

(1-hydroxy-3-methylcyclobutyl)azanium chloride (PubChem CID 140571365) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (1-hydroxy-3-methylcyclobutyl)azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-3-methylcyclobutyl)azanium chloride
PubChem CID140571365
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(1-hydroxy-3-methylcyclobutyl)azanium chloride
SMILESCC1CC([NH3+])(O)C1.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c1-4-2-5(6,7)3-4;/h4,7H,2-3,6H2,1H3;1H
InChIKeyAYCLBGUDSCBKPT-UHFFFAOYSA-N
XLogP-3.65
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-3.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylspiro[3.3]heptane
CID 21304360
2-methylcyclopropane-1,1-diol
CID 68932442
1,1,3-trimethylcyclobutane
CID 12656861
1-(difluoromethyl)-3-methylcyclobutan-1-ol;ethane
CID 170740025
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
1-[bromo(difluoro)methyl]-3-methylcyclobutan-1-ol
CID 107140415
6-methyl-1-azaspiro[3.3]heptane
CID 103565322
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
6-methyldispiro[2.0.34.23]nonane
CID 123177903
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
2-(1-hydroxy-3-methylcyclobutyl)propanenitrile
CID 103565518
2,5-dimethylcyclohexane-1,1-diol
CID 147718738

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-methylcyclobutyl)azanium chloride?
The IUPAC name of (1-hydroxy-3-methylcyclobutyl)azanium chloride (CID 140571365) is (1-hydroxy-3-methylcyclobutyl)azanium chloride.
What is the SMILES notation for (1-hydroxy-3-methylcyclobutyl)azanium chloride?
The canonical SMILES for (1-hydroxy-3-methylcyclobutyl)azanium chloride is CC1CC([NH3+])(O)C1.[Cl-].
What is the InChIKey of (1-hydroxy-3-methylcyclobutyl)azanium chloride?
The InChIKey is AYCLBGUDSCBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4-2-5(6,7)3-4;/h4,7H,2-3,6H2,1H3;1H.
What are the key properties of (1-hydroxy-3-methylcyclobutyl)azanium chloride?
(1-hydroxy-3-methylcyclobutyl)azanium chloride has a molecular weight of 137.61 g/mol, XLogP of -3.65, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-methylcyclobutyl)azanium chloride is sourced from PubChem (CID 140571365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).