6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol

C16H35NO2 — CID 11572614

IUPAC6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCNCCCCC(C)(C)CO
InChIInChI=1S/C16H35NO2/c1-15(2,13-18)9-5-7-11-17-12-8-6-10-16(3,4)14-19/h17-19H,5-14H2,1-4H3
InChIKeyKRGFJELEKNEBOI-UHFFFAOYSA-N
MW273.46 g/mol
LogP2.95
Rot. Bonds12

About 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol

6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol (PubChem CID 11572614) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol.

Molecular Properties

Compound Name6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
PubChem CID11572614
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
SMILESCC(C)(CO)CCCCNCCCCC(C)(C)CO
InChIInChI=1S/C16H35NO2/c1-15(2,13-18)9-5-7-11-17-12-8-6-10-16(3,4)14-19/h17-19H,5-14H2,1-4H3
InChIKeyKRGFJELEKNEBOI-UHFFFAOYSA-N
XLogP2.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 52.95
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

(6-hydroxy-5,5-dimethylhexyl)carbamic acid
CID 90923983
5-(2-ethylbutylamino)-2,2-dimethylpentan-1-ol
CID 115756964
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047
2,2-dimethyldecan-1-ol
CID 520069
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
CID 11470973
7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
3-[4-(dimethylamino)butylamino]-2,2-dimethylpropan-1-ol
CID 81412054
3-(4-methoxybutylamino)-2,2-dimethylpropan-1-ol
CID 81410944

Frequently Asked Questions

What is the IUPAC name of 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol?
The IUPAC name of 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol (CID 11572614) is 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol.
What is the SMILES notation for 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol?
The canonical SMILES for 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol is CC(C)(CO)CCCCNCCCCC(C)(C)CO.
What is the InChIKey of 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol?
The InChIKey is KRGFJELEKNEBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-15(2,13-18)9-5-7-11-17-12-8-6-10-16(3,4)14-19/h17-19H,5-14H2,1-4H3.
What are the key properties of 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol?
6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol has a molecular weight of 273.46 g/mol, XLogP of 2.95, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol is sourced from PubChem (CID 11572614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).