1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol

C11H25NO2 — CID 18533829

IUPAC1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol
SMILESCCC(C)(C)C(O)CCNCC(C)O
InChIInChI=1S/C11H25NO2/c1-5-11(3,4)10(14)6-7-12-8-9(2)13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyZCMCOJWCGPPXCO-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds7

About 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol

1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol (PubChem CID 18533829) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol
PubChem CID18533829
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol
SMILESCCC(C)(C)C(O)CCNCC(C)O
InChIInChI=1S/C11H25NO2/c1-5-11(3,4)10(14)6-7-12-8-9(2)13/h9-10,12-14H,5-8H2,1-4H3
InChIKeyZCMCOJWCGPPXCO-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-1-(methylamino)pentan-3-ol
CID 83635351
1-(2-Hydroxyethylamino)-3,3-dimethylbutan-2-ol
CID 54004029
5-Di-t-butyl-3-piperidol
CID 129810154
2-Ethyl-2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 105643784
2-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 105644467
1-(3-Fluoropropylamino)-4,4-dimethylpentan-2-ol
CID 107151915
4,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 107151921
4,4-Dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
CID 107151967
4,4-Dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
CID 107151968
1-(2,2-Difluoroethylamino)-4,4-dimethylpentan-2-ol
CID 107151975
4,4-Dimethyl-1-(2,2,2-trifluoroethylamino)pentan-2-ol
CID 107152059
4,4-Dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
CID 107152188

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol?
The IUPAC name of 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol (CID 18533829) is 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol.
What is the SMILES notation for 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol?
The canonical SMILES for 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol is CCC(C)(C)C(O)CCNCC(C)O.
What is the InChIKey of 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol?
The InChIKey is ZCMCOJWCGPPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-11(3,4)10(14)6-7-12-8-9(2)13/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol?
1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)-4,4-dimethylhexan-3-ol is sourced from PubChem (CID 18533829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).