1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol

C13H27NO2 — CID 103839075

IUPAC1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CCCCCCO)CC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-13(16)8-4-5-9-13/h15-16H,2-12H2,1H3
InChIKeyNKOICZQADJFLFD-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.78
Rot. Bonds8

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

1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 103839075) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID103839075
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CCCCCCO)CC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-13(16)8-4-5-9-13/h15-16H,2-12H2,1H3
InChIKeyNKOICZQADJFLFD-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.78
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

1-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 103857837
1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopentan-1-ol
CID 107483842
1-[[Methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952600
1-[[3-Fluoropropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115758402
1-[[2-Fluoroethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115758626
1-[[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
CID 115899445
1-[(Diethylamino)methyl]cyclopentan-1-ol
CID 14044359
1-[[Bis(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 21302975
1-(Diethylamino)-4-ethylhexan-2-ol
CID 53914243
3-Butyl-1-pentylpyrrolidine-3,4-diol
CID 54058229
[1-(Dimethylamino)cyclopentyl]methanol
CID 84221966
(2R)-1-[2-hydroxypentyl(methyl)amino]-2-methylpentan-2-ol
CID 87570358

Frequently Asked Questions

What is the IUPAC name of 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol (CID 103839075) is 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol is CN(CCCCCCO)CC1(O)CCCC1.
What is the InChIKey of 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NKOICZQADJFLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-14(10-6-2-3-7-11-15)12-13(16)8-4-5-9-13/h15-16H,2-12H2,1H3.
What are the key properties of 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol?
1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103839075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).