3-[methyl(oxido)amino]pentan-3-ol

C6H14NO2- — CID 163924305

IUPAC3-[methyl(oxido)amino]pentan-3-ol
SMILESCCC(O)(CC)N(C)[O-]
InChIInChI=1S/C6H14NO2/c1-4-6(8,5-2)7(3)9/h8H,4-5H2,1-3H3/q-1
InChIKeyBWVQOGRLFMSHLN-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.92
Rot. Bonds3

About 3-[methyl(oxido)amino]pentan-3-ol

3-[methyl(oxido)amino]pentan-3-ol (PubChem CID 163924305) has the molecular formula C6H14NO2- and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-[methyl(oxido)amino]pentan-3-ol.

Molecular Properties

Compound Name3-[methyl(oxido)amino]pentan-3-ol
PubChem CID163924305
Molecular FormulaC6H14NO2-
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-[methyl(oxido)amino]pentan-3-ol
SMILESCCC(O)(CC)N(C)[O-]
InChIInChI=1S/C6H14NO2/c1-4-6(8,5-2)7(3)9/h8H,4-5H2,1-3H3/q-1
InChIKeyBWVQOGRLFMSHLN-UHFFFAOYSA-N
XLogP0.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
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

N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
CID 163431704
2-[amino(methyl)amino]butan-2-ol
CID 142701934
1-(3-hydroxyhexan-3-yl)-1,3-dimethylurea
CID 89228439
2-(dimethylamino)propane-1,2,3-triol
CID 118030741
4-ethyl-7,7-dimethyloctan-4-ol
CID 59856312
1,1-diiodopropan-1-ol
CID 54306694
1,1-dimethoxypropan-1-ol;methane
CID 157160152
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
2-arsanylbutan-2-ol
CID 173005032
methanamine;2-methylbutan-2-ol
CID 142079467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
azane;3-methylpentan-3-ol
CID 87107560

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxido)amino]pentan-3-ol?
The IUPAC name of 3-[methyl(oxido)amino]pentan-3-ol (CID 163924305) is 3-[methyl(oxido)amino]pentan-3-ol.
What is the SMILES notation for 3-[methyl(oxido)amino]pentan-3-ol?
The canonical SMILES for 3-[methyl(oxido)amino]pentan-3-ol is CCC(O)(CC)N(C)[O-].
What is the InChIKey of 3-[methyl(oxido)amino]pentan-3-ol?
The InChIKey is BWVQOGRLFMSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-4-6(8,5-2)7(3)9/h8H,4-5H2,1-3H3/q-1.
What are the key properties of 3-[methyl(oxido)amino]pentan-3-ol?
3-[methyl(oxido)amino]pentan-3-ol has a molecular weight of 132.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxido)amino]pentan-3-ol is sourced from PubChem (CID 163924305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).