2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol

C13H27NO3 — CID 114243666

IUPAC2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
SMILESCN(CCOCCO)CC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3/c1-14(7-9-17-10-8-15)11-13(12-16)5-3-2-4-6-13/h15-16H,2-12H2,1H3
InChIKeyHZMFVXJNPKNIHX-UHFFFAOYSA-N
MW245.36 g/mol
LogP0.87
Rot. Bonds8

About 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol

2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol (PubChem CID 114243666) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
PubChem CID114243666
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
SMILESCN(CCOCCO)CC1(CO)CCCCC1
InChIInChI=1S/C13H27NO3/c1-14(7-9-17-10-8-15)11-13(12-16)5-3-2-4-6-13/h15-16H,2-12H2,1H3
InChIKeyHZMFVXJNPKNIHX-UHFFFAOYSA-N
XLogP0.87
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methanol
CID 81074081
2-[2-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]ethoxy]ethanol
CID 114243662
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
[1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62266701
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701
[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methanol
CID 62272579
1-[[methyl(2-propoxyethyl)amino]methyl]cyclopentan-1-ol
CID 106456276
[1-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]cyclobutyl]methanol
CID 91836426
N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
2-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
CID 62259359
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol (CID 114243666) is 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol is CN(CCOCCO)CC1(CO)CCCCC1.
What is the InChIKey of 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol?
The InChIKey is HZMFVXJNPKNIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-14(7-9-17-10-8-15)11-13(12-16)5-3-2-4-6-13/h15-16H,2-12H2,1H3.
What are the key properties of 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol?
2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol has a molecular weight of 245.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).