N-[4-(hydroxyamino)butyl]hydroxylamine

C4H12N2O2 — CID 20567327

IUPACN-[4-(hydroxyamino)butyl]hydroxylamine
SMILESONCCCCNO
InChIInChI=1S/C4H12N2O2/c7-5-3-1-2-4-6-8/h5-8H,1-4H2
InChIKeyUIPGRURBISAPSR-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.28
Rot. Bonds5

About N-[4-(hydroxyamino)butyl]hydroxylamine

N-[4-(hydroxyamino)butyl]hydroxylamine (PubChem CID 20567327) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-[4-(hydroxyamino)butyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(hydroxyamino)butyl]hydroxylamine
PubChem CID20567327
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC NameN-[4-(hydroxyamino)butyl]hydroxylamine
SMILESONCCCCNO
InChIInChI=1S/C4H12N2O2/c7-5-3-1-2-4-6-8/h5-8H,1-4H2
InChIKeyUIPGRURBISAPSR-UHFFFAOYSA-N
XLogP-0.28
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-butylhydroxylamine hydrochloride
CID 12355440
N-hydroxyputrescine(1+)
CID 91820388
N-hydroxyputrescine
CID 24883439
N-Hydroxy-1-butanamine
CID 10034579
N-hydroxycadaverine
CID 22119660
N-(4-aminobutyl)hydroxylamine dihydrochloride
CID 91928401
1-Amino-5-hydroxyaminopentane
CID 44123536
N,N'-dihydroxy-1,3-propanediamine
CID 54107116
N-hydroxy-diaminobutane
CID 101625038
Ethylamino titanate
CID 129676893
N-(4-fluorobutyl)hydroxylamine
CID 55264278
N-(4-nitrobutyl)hydroxylamine
CID 11819122

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)butyl]hydroxylamine?
The IUPAC name of N-[4-(hydroxyamino)butyl]hydroxylamine (CID 20567327) is N-[4-(hydroxyamino)butyl]hydroxylamine.
What is the SMILES notation for N-[4-(hydroxyamino)butyl]hydroxylamine?
The canonical SMILES for N-[4-(hydroxyamino)butyl]hydroxylamine is ONCCCCNO.
What is the InChIKey of N-[4-(hydroxyamino)butyl]hydroxylamine?
The InChIKey is UIPGRURBISAPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c7-5-3-1-2-4-6-8/h5-8H,1-4H2.
What are the key properties of N-[4-(hydroxyamino)butyl]hydroxylamine?
N-[4-(hydroxyamino)butyl]hydroxylamine has a molecular weight of 120.15 g/mol, XLogP of -0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)butyl]hydroxylamine is sourced from PubChem (CID 20567327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).