4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol

C11H25NO2 — CID 167006583

IUPAC4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol
SMILESCCC(C)(CC)CC(O)CNC(C)O
InChIInChI=1S/C11H25NO2/c1-5-11(4,6-2)7-10(14)8-12-9(3)13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyOWOXYGYFAQBZNT-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.49
Rot. Bonds7

About 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol

4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol (PubChem CID 167006583) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol
PubChem CID167006583
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol
SMILESCCC(C)(CC)CC(O)CNC(C)O
InChIInChI=1S/C11H25NO2/c1-5-11(4,6-2)7-10(14)8-12-9(3)13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyOWOXYGYFAQBZNT-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1-Hydroxypropylamino)-2,2-dimethylbutane-1,3-diol
CID 129736172
5-Di-t-butyl-3-piperidol
CID 129810154
1-(3-Fluoropropylamino)-4,4-dimethylpentan-2-ol
CID 107151915
4,4-Dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
CID 107151967
1-(2-Fluoroethylamino)-4,4-dimethylpentan-2-ol
CID 107152202
1-(2-Hydroxypropylamino)-4,4-dimethylhexan-3-ol
CID 18533829
1-(2-Hydroxyethylamino)hexan-2-ol
CID 19593987
1,1'-Azanediyldi(hexan-2-ol)
CID 20265774
N,N'-(1,6-hexylene)-bis[2-hydroxy-3,3-dimethylbutylamine]
CID 21332431
1-(2-Hydroxyethylamino)-4,4-dimethylpentan-2-ol
CID 23180390
(2R,3S)-5-methyl-1-(2-methylpropylamino)hexane-2,3-diol
CID 53641959
(2R)-1-(2-hydroxyethylamino)-4-methylpentan-2-ol
CID 53682118

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol?
The IUPAC name of 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol (CID 167006583) is 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol.
What is the SMILES notation for 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol?
The canonical SMILES for 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol is CCC(C)(CC)CC(O)CNC(C)O.
What is the InChIKey of 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol?
The InChIKey is OWOXYGYFAQBZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(4,6-2)7-10(14)8-12-9(3)13/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol?
4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-hydroxyethylamino)-4-methylhexan-2-ol is sourced from PubChem (CID 167006583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).