O-(3-methylbutyl)hydroxylamine chloride

C5H13ClNO- — CID 21205587

IUPACO-(3-methylbutyl)hydroxylamine chloride
SMILESCC(C)CCON.[Cl-]
InChIInChI=1S/C5H13NO.ClH/c1-5(2)3-4-7-6;/h5H,3-4,6H2,1-2H3;1H/p-1
InChIKeyLSIQHIWVGRRUKT-UHFFFAOYSA-M
MW138.62 g/mol
LogP-2.07
Rot. Bonds3

About O-(3-methylbutyl)hydroxylamine chloride

O-(3-methylbutyl)hydroxylamine chloride (PubChem CID 21205587) has the molecular formula C5H13ClNO- and a molecular weight of 138.62 g/mol. Its IUPAC name is O-(3-methylbutyl)hydroxylamine chloride.

Molecular Properties

Compound NameO-(3-methylbutyl)hydroxylamine chloride
PubChem CID21205587
Molecular FormulaC5H13ClNO-
Molecular Weight138.62 g/mol
Exact Mass138.07
IUPAC NameO-(3-methylbutyl)hydroxylamine chloride
SMILESCC(C)CCON.[Cl-]
InChIInChI=1S/C5H13NO.ClH/c1-5(2)3-4-7-6;/h5H,3-4,6H2,1-2H3;1H/p-1
InChIKeyLSIQHIWVGRRUKT-UHFFFAOYSA-M
XLogP-2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149
O-(3-fluorobutyl)hydroxylamine
CID 84762028
O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
CID 10154284
O-(3-sulfanylbutyl)hydroxylamine
CID 154726121
1-but-2-en-2-yloxy-3-methylbutane
CID 123230570
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
ethane;1-methoxy-3-methylbutane
CID 144580604
CID 148792664
CID 148792664
3-methylbutyl hypobromite
CID 141146646
3-methylbutoxygallane
CID 174485666
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143

Frequently Asked Questions

What is the IUPAC name of O-(3-methylbutyl)hydroxylamine chloride?
The IUPAC name of O-(3-methylbutyl)hydroxylamine chloride (CID 21205587) is O-(3-methylbutyl)hydroxylamine chloride.
What is the SMILES notation for O-(3-methylbutyl)hydroxylamine chloride?
The canonical SMILES for O-(3-methylbutyl)hydroxylamine chloride is CC(C)CCON.[Cl-].
What is the InChIKey of O-(3-methylbutyl)hydroxylamine chloride?
The InChIKey is LSIQHIWVGRRUKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO.ClH/c1-5(2)3-4-7-6;/h5H,3-4,6H2,1-2H3;1H/p-1.
What are the key properties of O-(3-methylbutyl)hydroxylamine chloride?
O-(3-methylbutyl)hydroxylamine chloride has a molecular weight of 138.62 g/mol, XLogP of -2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methylbutyl)hydroxylamine chloride is sourced from PubChem (CID 21205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).