2-amino-N,N-dihydroxybutan-1-amine oxide

C4H12N2O3 — CID 174545440

IUPAC2-amino-N,N-dihydroxybutan-1-amine oxide
SMILESCCC(N)C[N+]([O-])(O)O
InChIInChI=1S/C4H12N2O3/c1-2-4(5)3-6(7,8)9/h4,7-8H,2-3,5H2,1H3
InChIKeyIOBZOLXGZMQVHF-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.18
Rot. Bonds3

About 2-amino-N,N-dihydroxybutan-1-amine oxide

2-amino-N,N-dihydroxybutan-1-amine oxide (PubChem CID 174545440) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-amino-N,N-dihydroxybutan-1-amine oxide.

Molecular Properties

Compound Name2-amino-N,N-dihydroxybutan-1-amine oxide
PubChem CID174545440
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name2-amino-N,N-dihydroxybutan-1-amine oxide
SMILESCCC(N)C[N+]([O-])(O)O
InChIInChI=1S/C4H12N2O3/c1-2-4(5)3-6(7,8)9/h4,7-8H,2-3,5H2,1H3
InChIKeyIOBZOLXGZMQVHF-UHFFFAOYSA-N
XLogP-0.18
TPSA89.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-aminobutyl(trimethyl)azanium
CID 57196894
pentan-3-amine;hydroiodide
CID 173436389
(5R)-heptane-3,5-diamine
CID 118180613
hexane-3,4-diamine
CID 12656175
tetradecane-3,6,9,12-tetramine
CID 140993886
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
1-dihydroxysilylbutan-2-amine
CID 173136306
4-aminohexane-1,1-diol
CID 91042814
(2S)-1-chlorobutan-2-amine
CID 130722137
(2R)-2-aminobutane-1,1-diol
CID 148517870
3,10-diaminododecane-5,8-diol
CID 165390918
ethane;hexan-3-amine
CID 143616305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dihydroxybutan-1-amine oxide?
The IUPAC name of 2-amino-N,N-dihydroxybutan-1-amine oxide (CID 174545440) is 2-amino-N,N-dihydroxybutan-1-amine oxide.
What is the SMILES notation for 2-amino-N,N-dihydroxybutan-1-amine oxide?
The canonical SMILES for 2-amino-N,N-dihydroxybutan-1-amine oxide is CCC(N)C[N+]([O-])(O)O.
What is the InChIKey of 2-amino-N,N-dihydroxybutan-1-amine oxide?
The InChIKey is IOBZOLXGZMQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c1-2-4(5)3-6(7,8)9/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 2-amino-N,N-dihydroxybutan-1-amine oxide?
2-amino-N,N-dihydroxybutan-1-amine oxide has a molecular weight of 136.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dihydroxybutan-1-amine oxide is sourced from PubChem (CID 174545440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).