2-(hydroxyamino)-3,3-dimethylbutan-1-ol

C6H15NO2 — CID 74975814

IUPAC2-(hydroxyamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NO
InChIInChI=1S/C6H15NO2/c1-6(2,3)5(4-8)7-9/h5,7-9H,4H2,1-3H3
InChIKeyANNVNRPAQJWORU-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.37
Rot. Bonds2

About 2-(hydroxyamino)-3,3-dimethylbutan-1-ol

2-(hydroxyamino)-3,3-dimethylbutan-1-ol (PubChem CID 74975814) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-(hydroxyamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(hydroxyamino)-3,3-dimethylbutan-1-ol
PubChem CID74975814
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-(hydroxyamino)-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)NO
InChIInChI=1S/C6H15NO2/c1-6(2,3)5(4-8)7-9/h5,7-9H,4H2,1-3H3
InChIKeyANNVNRPAQJWORU-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tert-butylamino)-3,3-dimethylbutan-1-ol
CID 166809211
3,3-dimethyl-2-(propan-2-ylamino)butan-1-ol
CID 61324367
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
3-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]propane-1-sulfinic acid
CID 143275245
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
CID 10692135
3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
CID 120848676
tert-butyl 5-(hydroxyamino)-6,6-dimethylheptanoate
CID 134394103
3-[3,3-dimethyl-2-(methylamino)butyl]sulfanylpropane-1,2-diol
CID 79672011
3,3-dimethyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 130703976

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-(hydroxyamino)-3,3-dimethylbutan-1-ol (CID 74975814) is 2-(hydroxyamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(hydroxyamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(hydroxyamino)-3,3-dimethylbutan-1-ol is CC(C)(C)C(CO)NO.
What is the InChIKey of 2-(hydroxyamino)-3,3-dimethylbutan-1-ol?
The InChIKey is ANNVNRPAQJWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-6(2,3)5(4-8)7-9/h5,7-9H,4H2,1-3H3.
What are the key properties of 2-(hydroxyamino)-3,3-dimethylbutan-1-ol?
2-(hydroxyamino)-3,3-dimethylbutan-1-ol has a molecular weight of 133.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 74975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).