N-[3-(hydroxyamino)butan-2-yl]hydroxylamine

C4H12N2O2 — CID 5232174

IUPACN-[3-(hydroxyamino)butan-2-yl]hydroxylamine
SMILESCC(NO)C(C)NO
InChIInChI=1S/C4H12N2O2/c1-3(5-7)4(2)6-8/h3-8H,1-2H3
InChIKeyZCKSSHRRCNLSGP-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.28
Rot. Bonds3

About N-[3-(hydroxyamino)butan-2-yl]hydroxylamine

N-[3-(hydroxyamino)butan-2-yl]hydroxylamine (PubChem CID 5232174) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-[3-(hydroxyamino)butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(hydroxyamino)butan-2-yl]hydroxylamine
PubChem CID5232174
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC NameN-[3-(hydroxyamino)butan-2-yl]hydroxylamine
SMILESCC(NO)C(C)NO
InChIInChI=1S/C4H12N2O2/c1-3(5-7)4(2)6-8/h3-8H,1-2H3
InChIKeyZCKSSHRRCNLSGP-UHFFFAOYSA-N
XLogP-0.28
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxyamino)butan-2-yl]hydroxylamine?
The IUPAC name of N-[3-(hydroxyamino)butan-2-yl]hydroxylamine (CID 5232174) is N-[3-(hydroxyamino)butan-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-(hydroxyamino)butan-2-yl]hydroxylamine?
The canonical SMILES for N-[3-(hydroxyamino)butan-2-yl]hydroxylamine is CC(NO)C(C)NO.
What is the InChIKey of N-[3-(hydroxyamino)butan-2-yl]hydroxylamine?
The InChIKey is ZCKSSHRRCNLSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c1-3(5-7)4(2)6-8/h3-8H,1-2H3.
What are the key properties of N-[3-(hydroxyamino)butan-2-yl]hydroxylamine?
N-[3-(hydroxyamino)butan-2-yl]hydroxylamine has a molecular weight of 120.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxyamino)butan-2-yl]hydroxylamine is sourced from PubChem (CID 5232174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).