2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol

C13H27NO2 — CID 107704896

IUPAC2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CCCCCCO)C1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-8-4-5-9-13(12)16/h12-13,15-16H,2-11H2,1H3
InChIKeyFPLQDAOEWWPTKI-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.77
Rot. Bonds7

About 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol

2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol (PubChem CID 107704896) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
PubChem CID107704896
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CCCCCCO)C1CCCCC1O
InChIInChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-8-4-5-9-13(12)16/h12-13,15-16H,2-11H2,1H3
InChIKeyFPLQDAOEWWPTKI-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
6-[(2-hydroxycyclohexyl)-methylamino]hexan-2-one
CID 102632920
2-[3-(cyclopropylamino)propyl-methylamino]cyclohexan-1-ol
CID 102636193
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
CID 107198523
4-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylbutanamide
CID 102636707
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
methyl 4-[(2-hydroxycyclohexyl)-methylamino]butanoate
CID 62013260
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol (CID 107704896) is 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol is CN(CCCCCCO)C1CCCCC1O.
What is the InChIKey of 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is FPLQDAOEWWPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-8-4-5-9-13(12)16/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol?
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 107704896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).