2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol

C14H27NO2 — CID 113356313

IUPAC2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)CC1(O)CCCC1
InChIInChI=1S/C14H27NO2/c1-15(11-14(17)8-4-5-9-14)10-12-6-2-3-7-13(12)16/h12-13,16-17H,2-11H2,1H3
InChIKeyLXSWNTGCUVOVOT-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol

2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol (PubChem CID 113356313) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol
PubChem CID113356313
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCCCC1O)CC1(O)CCCC1
InChIInChI=1S/C14H27NO2/c1-15(11-14(17)8-4-5-9-14)10-12-6-2-3-7-13(12)16/h12-13,16-17H,2-11H2,1H3
InChIKeyLXSWNTGCUVOVOT-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
CID 120902061
1-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclohexan-1-ol
CID 102635783
4-[[(2-hydroxy-3,3-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114953741
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891
1-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 106613911
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
2-[[2-bromoprop-2-enyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398174
2-[[methyl-(4-methylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 62611154
1-[[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953487
2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
CID 65211425
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
N-cyclohexyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 115749267

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol (CID 113356313) is 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol is CN(CC1CCCCC1O)CC1(O)CCCC1.
What is the InChIKey of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is LXSWNTGCUVOVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(11-14(17)8-4-5-9-14)10-12-6-2-3-7-13(12)16/h12-13,16-17H,2-11H2,1H3.
What are the key properties of 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol?
2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113356313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).