N-[2-(dihydroxyamino)butyl]hydroxylamine

C4H12N2O3 — CID 18959039

IUPACN-[2-(dihydroxyamino)butyl]hydroxylamine
SMILESCCC(CNO)N(O)O
InChIInChI=1S/C4H12N2O3/c1-2-4(3-5-7)6(8)9/h4-5,7-9H,2-3H2,1H3
InChIKeyBQUBURNHYHHJQL-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.18
Rot. Bonds4

About N-[2-(dihydroxyamino)butyl]hydroxylamine

N-[2-(dihydroxyamino)butyl]hydroxylamine (PubChem CID 18959039) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is N-[2-(dihydroxyamino)butyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(dihydroxyamino)butyl]hydroxylamine
PubChem CID18959039
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC NameN-[2-(dihydroxyamino)butyl]hydroxylamine
SMILESCCC(CNO)N(O)O
InChIInChI=1S/C4H12N2O3/c1-2-4(3-5-7)6(8)9/h4-5,7-9H,2-3H2,1H3
InChIKeyBQUBURNHYHHJQL-UHFFFAOYSA-N
XLogP-0.18
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dihydroxyamino)butyl]hydroxylamine?
The IUPAC name of N-[2-(dihydroxyamino)butyl]hydroxylamine (CID 18959039) is N-[2-(dihydroxyamino)butyl]hydroxylamine.
What is the SMILES notation for N-[2-(dihydroxyamino)butyl]hydroxylamine?
The canonical SMILES for N-[2-(dihydroxyamino)butyl]hydroxylamine is CCC(CNO)N(O)O.
What is the InChIKey of N-[2-(dihydroxyamino)butyl]hydroxylamine?
The InChIKey is BQUBURNHYHHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c1-2-4(3-5-7)6(8)9/h4-5,7-9H,2-3H2,1H3.
What are the key properties of N-[2-(dihydroxyamino)butyl]hydroxylamine?
N-[2-(dihydroxyamino)butyl]hydroxylamine has a molecular weight of 136.15 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dihydroxyamino)butyl]hydroxylamine is sourced from PubChem (CID 18959039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).