3-(hydroxyamino)-2-methylpentan-3-ol

C6H15NO2 — CID 18439597

IUPAC3-(hydroxyamino)-2-methylpentan-3-ol
SMILESCCC(O)(NO)C(C)C
InChIInChI=1S/C6H15NO2/c1-4-6(8,7-9)5(2)3/h5,7-9H,4H2,1-3H3
InChIKeyKXLGWXYVLHMIFG-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.72
Rot. Bonds3

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

3-(hydroxyamino)-2-methylpentan-3-ol (PubChem CID 18439597) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-(hydroxyamino)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(hydroxyamino)-2-methylpentan-3-ol
PubChem CID18439597
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3-(hydroxyamino)-2-methylpentan-3-ol
SMILESCCC(O)(NO)C(C)C
InChIInChI=1S/C6H15NO2/c1-4-6(8,7-9)5(2)3/h5,7-9H,4H2,1-3H3
InChIKeyKXLGWXYVLHMIFG-UHFFFAOYSA-N
XLogP0.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-methylpentane-3,3-diol
CID 87103548
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901
2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
CID 114997202
ethane;2-ethyl-3-methylbutane-1,2-diol
CID 143778282
N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
CID 141274919
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
CID 114997755
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
(3R)-2,3-dimethylpentane-2,3-diol
CID 118219388
3,3-diethyl-2-methylpentane;ethane
CID 163394660

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-2-methylpentan-3-ol?
The IUPAC name of 3-(hydroxyamino)-2-methylpentan-3-ol (CID 18439597) is 3-(hydroxyamino)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(hydroxyamino)-2-methylpentan-3-ol?
The canonical SMILES for 3-(hydroxyamino)-2-methylpentan-3-ol is CCC(O)(NO)C(C)C.
What is the InChIKey of 3-(hydroxyamino)-2-methylpentan-3-ol?
The InChIKey is KXLGWXYVLHMIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-6(8,7-9)5(2)3/h5,7-9H,4H2,1-3H3.
What are the key properties of 3-(hydroxyamino)-2-methylpentan-3-ol?
3-(hydroxyamino)-2-methylpentan-3-ol has a molecular weight of 133.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-2-methylpentan-3-ol is sourced from PubChem (CID 18439597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).