N-butylhydroxylamine

C4H11NO — CID 10034579

IUPACN-butylhydroxylamine
SMILESCCCCNO
InChIInChI=1S/C4H11NO/c1-2-3-4-5-6/h5-6H,2-4H2,1H3
InChIKeySWTFBLUIBHXOAH-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.77
Rot. Bonds3

About N-butylhydroxylamine

N-butylhydroxylamine (PubChem CID 10034579) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is N-butylhydroxylamine.

Molecular Properties

Compound NameN-butylhydroxylamine
PubChem CID10034579
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC NameN-butylhydroxylamine
SMILESCCCCNO
InChIInChI=1S/C4H11NO/c1-2-3-4-5-6/h5-6H,2-4H2,1H3
InChIKeySWTFBLUIBHXOAH-UHFFFAOYSA-N
XLogP0.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)hydroxylamine
CID 9543329
N-butylhydroxylamine hydrochloride
CID 12355440
N-hydroxyputrescine(1+)
CID 91820388
N-hydroxyputrescine
CID 24883439
N-propylhydroxylamine
CID 10148984
N-hydroxycadaverine
CID 22119660
N-(4-aminobutyl)hydroxylamine dihydrochloride
CID 91928401
N-n-hexylhydroxylamine
CID 10329276
1-Amino-5-hydroxyaminopentane
CID 44123536
1-Methylpropylhydroxyl amine
CID 3018801
N-pentylhydroxylamine
CID 9833936
Butylamine hydrate
CID 12199051

Frequently Asked Questions

What is the IUPAC name of N-butylhydroxylamine?
The IUPAC name of N-butylhydroxylamine (CID 10034579) is N-butylhydroxylamine.
What is the SMILES notation for N-butylhydroxylamine?
The canonical SMILES for N-butylhydroxylamine is CCCCNO.
What is the InChIKey of N-butylhydroxylamine?
The InChIKey is SWTFBLUIBHXOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-2-3-4-5-6/h5-6H,2-4H2,1H3.
What are the key properties of N-butylhydroxylamine?
N-butylhydroxylamine has a molecular weight of 89.14 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhydroxylamine is sourced from PubChem (CID 10034579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).