2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol

C13H28N2O2 — CID 62255853

IUPAC2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
SMILESCNCC1(CN(CCO)CCO)CCCCC1
InChIInChI=1S/C13H28N2O2/c1-14-11-13(5-3-2-4-6-13)12-15(7-9-16)8-10-17/h14,16-17H,2-12H2,1H3
InChIKeySGCBOBLKTOHIET-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.44
Rot. Bonds8

About 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol (PubChem CID 62255853) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
PubChem CID62255853
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
SMILESCNCC1(CN(CCO)CCO)CCCCC1
InChIInChI=1S/C13H28N2O2/c1-14-11-13(5-3-2-4-6-13)12-15(7-9-16)8-10-17/h14,16-17H,2-12H2,1H3
InChIKeySGCBOBLKTOHIET-UHFFFAOYSA-N
XLogP0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
CID 107204564
2-[propyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]ethanol
CID 62261295
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
2-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486906
N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768
2-[[1-(bromomethyl)cyclobutyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 65009843
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
2-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486890
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486979
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62263942

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol (CID 62255853) is 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol is CNCC1(CN(CCO)CCO)CCCCC1.
What is the InChIKey of 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol?
The InChIKey is SGCBOBLKTOHIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-14-11-13(5-3-2-4-6-13)12-15(7-9-16)8-10-17/h14,16-17H,2-12H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol has a molecular weight of 244.38 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 62255853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).