2-(hydroxyamino)-2-methylnonadecan-3-ol

C20H43NO2 — CID 123158209

IUPAC2-(hydroxyamino)-2-methylnonadecan-3-ol
SMILESCCCCCCCCCCCCCCCCC(O)C(C)(C)NO
InChIInChI=1S/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(2,3)21-23/h19,21-23H,4-18H2,1-3H3
InChIKeyRJBAVGIHIPSEMY-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.98
Rot. Bonds17

About 2-(hydroxyamino)-2-methylnonadecan-3-ol

2-(hydroxyamino)-2-methylnonadecan-3-ol (PubChem CID 123158209) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-(hydroxyamino)-2-methylnonadecan-3-ol.

Molecular Properties

Compound Name2-(hydroxyamino)-2-methylnonadecan-3-ol
PubChem CID123158209
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-(hydroxyamino)-2-methylnonadecan-3-ol
SMILESCCCCCCCCCCCCCCCCC(O)C(C)(C)NO
InChIInChI=1S/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(2,3)21-23/h19,21-23H,4-18H2,1-3H3
InChIKeyRJBAVGIHIPSEMY-UHFFFAOYSA-N
XLogP5.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-methyldodecane-3,4-diol
CID 103448703
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
3,3-diethyldecan-4-ol
CID 150278197
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-hydroxy-2,2-dimethylnonanenitrile
CID 15156105
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-2-methylnonadecan-3-ol?
The IUPAC name of 2-(hydroxyamino)-2-methylnonadecan-3-ol (CID 123158209) is 2-(hydroxyamino)-2-methylnonadecan-3-ol.
What is the SMILES notation for 2-(hydroxyamino)-2-methylnonadecan-3-ol?
The canonical SMILES for 2-(hydroxyamino)-2-methylnonadecan-3-ol is CCCCCCCCCCCCCCCCC(O)C(C)(C)NO.
What is the InChIKey of 2-(hydroxyamino)-2-methylnonadecan-3-ol?
The InChIKey is RJBAVGIHIPSEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(2,3)21-23/h19,21-23H,4-18H2,1-3H3.
What are the key properties of 2-(hydroxyamino)-2-methylnonadecan-3-ol?
2-(hydroxyamino)-2-methylnonadecan-3-ol has a molecular weight of 329.57 g/mol, XLogP of 5.98, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-2-methylnonadecan-3-ol is sourced from PubChem (CID 123158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).