4-amino-1-aminooxybutan-1-ol

C4H12N2O2 — CID 173339866

IUPAC4-amino-1-aminooxybutan-1-ol
SMILESNCCCC(O)ON
InChIInChI=1S/C4H12N2O2/c5-3-1-2-4(7)8-6/h4,7H,1-3,5-6H2
InChIKeyZKJZBZBOGJFJJC-UHFFFAOYSA-N
MW120.15 g/mol
LogP-1.07
Rot. Bonds4

About 4-amino-1-aminooxybutan-1-ol

4-amino-1-aminooxybutan-1-ol (PubChem CID 173339866) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-amino-1-aminooxybutan-1-ol.

Molecular Properties

Compound Name4-amino-1-aminooxybutan-1-ol
PubChem CID173339866
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name4-amino-1-aminooxybutan-1-ol
SMILESNCCCC(O)ON
InChIInChI=1S/C4H12N2O2/c5-3-1-2-4(7)8-6/h4,7H,1-3,5-6H2
InChIKeyZKJZBZBOGJFJJC-UHFFFAOYSA-N
XLogP-1.07
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-aminooxy-3-hydroxypropyl)sulfanium
CID 163621055
8-amino-1-ethoxyoctan-1-ol
CID 89136202
1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
CID 57181303
(2S)-5-amino-1-bromopentan-2-ol
CID 130712358
5-aminopentane-1,2-diol;hydrochloride
CID 86645443
14-aminotetradecane-1,1-diol
CID 87370531
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
1,6-diaminohexan-1-ol
CID 57008257
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tridecane-1,4,7,10,13-pentamine
CID 86224803
1-aminopentadecan-4-ol
CID 151480186

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-aminooxybutan-1-ol?
The IUPAC name of 4-amino-1-aminooxybutan-1-ol (CID 173339866) is 4-amino-1-aminooxybutan-1-ol.
What is the SMILES notation for 4-amino-1-aminooxybutan-1-ol?
The canonical SMILES for 4-amino-1-aminooxybutan-1-ol is NCCCC(O)ON.
What is the InChIKey of 4-amino-1-aminooxybutan-1-ol?
The InChIKey is ZKJZBZBOGJFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2/c5-3-1-2-4(7)8-6/h4,7H,1-3,5-6H2.
What are the key properties of 4-amino-1-aminooxybutan-1-ol?
4-amino-1-aminooxybutan-1-ol has a molecular weight of 120.15 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-aminooxybutan-1-ol is sourced from PubChem (CID 173339866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).