O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride

C4H14Cl2N2O — CID 10154284

IUPACO-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
SMILESC[C@H](N)CCON.Cl.Cl
InChIInChI=1S/C4H12N2O.2ClH/c1-4(5)2-3-7-6;;/h4H,2-3,5-6H2,1H3;2*1H/t4-;;/m0../s1
InChIKeyNCBWTMFLUNRAOL-FHNDMYTFSA-N
MW177.08 g/mol
LogP0.46
Rot. Bonds3

About O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride

O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride (PubChem CID 10154284) has the molecular formula C4H14Cl2N2O and a molecular weight of 177.08 g/mol. Its IUPAC name is O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
PubChem CID10154284
Molecular FormulaC4H14Cl2N2O
Molecular Weight177.08 g/mol
Exact Mass176.05
IUPAC NameO-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride
SMILESC[C@H](N)CCON.Cl.Cl
InChIInChI=1S/C4H12N2O.2ClH/c1-4(5)2-3-7-6;;/h4H,2-3,5-6H2,1H3;2*1H/t4-;;/m0../s1
InChIKeyNCBWTMFLUNRAOL-FHNDMYTFSA-N
XLogP0.46
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;O-(3-methylbutyl)hydroxylamine;dihydrochloride
CID 173322149
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
O-(3-fluorobutyl)hydroxylamine
CID 84762028
O-(3-sulfanylbutyl)hydroxylamine
CID 154726121
(5R)-hexane-2,5-diamine
CID 144618459
(2S)-4-fluorobutan-2-amine;hydrochloride
CID 155904889
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
(2S)-5-methoxypentan-2-amine
CID 93315322
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
(2S)-pentan-2-amine
CID 6997344
docosane-2,21-diamine
CID 150079956
bis[(3S)-3-aminobutyl] 2-hydroxybutanedioate
CID 175257594

Frequently Asked Questions

What is the IUPAC name of O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride?
The IUPAC name of O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride (CID 10154284) is O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride.
What is the SMILES notation for O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride?
The canonical SMILES for O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride is C[C@H](N)CCON.Cl.Cl.
What is the InChIKey of O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride?
The InChIKey is NCBWTMFLUNRAOL-FHNDMYTFSA-N. The full InChI is InChI=1S/C4H12N2O.2ClH/c1-4(5)2-3-7-6;;/h4H,2-3,5-6H2,1H3;2*1H/t4-;;/m0../s1.
What are the key properties of O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride?
O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride has a molecular weight of 177.08 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3S)-3-aminobutyl]hydroxylamine;dihydrochloride is sourced from PubChem (CID 10154284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).