1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride

C7H20Cl2N2O2 — CID 13017286

IUPAC1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
SMILESCC(C)(C)NCC(O)CON.Cl.Cl
InChIInChI=1S/C7H18N2O2.2ClH/c1-7(2,3)9-4-6(10)5-11-8;;/h6,9-10H,4-5,8H2,1-3H3;2*1H
InChIKeyZPQHGKQTMWHZND-UHFFFAOYSA-N
MW235.15 g/mol
LogP0.47
Rot. Bonds4

About 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride

1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride (PubChem CID 13017286) has the molecular formula C7H20Cl2N2O2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
PubChem CID13017286
Molecular FormulaC7H20Cl2N2O2
Molecular Weight235.15 g/mol
Exact Mass234.09
IUPAC Name1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
SMILESCC(C)(C)NCC(O)CON.Cl.Cl
InChIInChI=1S/C7H18N2O2.2ClH/c1-7(2,3)9-4-6(10)5-11-8;;/h6,9-10H,4-5,8H2,1-3H3;2*1H
InChIKeyZPQHGKQTMWHZND-UHFFFAOYSA-N
XLogP0.47
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
CID 19807381
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-(tert-butylamino)-3-(2,3,4,5,6-pentafluorophenoxy)propan-2-ol
CID 115476032
[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
CID 14856226
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride (CID 13017286) is 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride is CC(C)(C)NCC(O)CON.Cl.Cl.
What is the InChIKey of 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride?
The InChIKey is ZPQHGKQTMWHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2.2ClH/c1-7(2,3)9-4-6(10)5-11-8;;/h6,9-10H,4-5,8H2,1-3H3;2*1H.
What are the key properties of 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride?
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride has a molecular weight of 235.15 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 13017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).