butan-2-yl(hydroxy)azanium chloride

C4H12ClNO — CID 3018800

IUPACbutan-2-yl(hydroxy)azanium chloride
SMILESCCC(C)[NH2+]O.[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-3-4(2)5-6;/h4-6H,3H2,1-2H3;1H
InChIKeyOWRSUOXDWWWFDH-UHFFFAOYSA-N
MW125.60 g/mol
LogP-3.26
Rot. Bonds2

About butan-2-yl(hydroxy)azanium chloride

butan-2-yl(hydroxy)azanium chloride (PubChem CID 3018800) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is butan-2-yl(hydroxy)azanium chloride.

Molecular Properties

Compound Namebutan-2-yl(hydroxy)azanium chloride
PubChem CID3018800
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Namebutan-2-yl(hydroxy)azanium chloride
SMILESCCC(C)[NH2+]O.[Cl-]
InChIInChI=1S/C4H11NO.ClH/c1-3-4(2)5-6;/h4-6H,3H2,1-2H3;1H
InChIKeyOWRSUOXDWWWFDH-UHFFFAOYSA-N
XLogP-3.26
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 5-3.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Isopropylhydroxylamine
CID 78763
N-Isopropylhydroxylamine Hydrochloride
CID 170873
N-butylhydroxylamine hydrochloride
CID 12355440
N-Hydroxy-1-butanamine
CID 10034579
N-cyclobutylhydroxylamine hydrochloride
CID 141324435
Methoxy(propan-2-YL)amine
CID 12651820
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Methoxy(propan-2-yl)amine hydrochloride
CID 71756557
1-Methylpropylhydroxyl amine
CID 3018801
N-(pentan-3-yl)hydroxylamine
CID 19073513
N-(3-methylbutan-2-yl)hydroxylamine
CID 19073521
Isobutylhydroxylamine hydrochloride
CID 21252766

Frequently Asked Questions

What is the IUPAC name of butan-2-yl(hydroxy)azanium chloride?
The IUPAC name of butan-2-yl(hydroxy)azanium chloride (CID 3018800) is butan-2-yl(hydroxy)azanium chloride.
What is the SMILES notation for butan-2-yl(hydroxy)azanium chloride?
The canonical SMILES for butan-2-yl(hydroxy)azanium chloride is CCC(C)[NH2+]O.[Cl-].
What is the InChIKey of butan-2-yl(hydroxy)azanium chloride?
The InChIKey is OWRSUOXDWWWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-3-4(2)5-6;/h4-6H,3H2,1-2H3;1H.
What are the key properties of butan-2-yl(hydroxy)azanium chloride?
butan-2-yl(hydroxy)azanium chloride has a molecular weight of 125.60 g/mol, XLogP of -3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(hydroxy)azanium chloride is sourced from PubChem (CID 3018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).