2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol

C15H31NO2 — CID 55094247

IUPAC2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CCO)CC1CC(CC)CCC1O
InChIInChI=1S/C15H31NO2/c1-3-5-8-16(9-10-17)12-14-11-13(4-2)6-7-15(14)18/h13-15,17-18H,3-12H2,1-2H3
InChIKeyWBUWVKYJJDGKMP-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.27
Rot. Bonds8

About 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 55094247) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID55094247
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCCCN(CCO)CC1CC(CC)CCC1O
InChIInChI=1S/C15H31NO2/c1-3-5-8-16(9-10-17)12-14-11-13(4-2)6-7-15(14)18/h13-15,17-18H,3-12H2,1-2H3
InChIKeyWBUWVKYJJDGKMP-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((Dimethylamino)methyl)cyclohexanol
CID 368214
4-tert-Butyl-2-((dibutylamino)methyl)cyclohexanol
CID 244711
[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium iodide
CID 364020
cis-(1R,2S)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 1542462
rel-(1R,2R)-2-((Dimethylamino)methyl)cyclohexanol
CID 1542464
[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium
CID 364021
(2-Hydroxycyclohexyl)methyl-trimethylazanium
CID 368216
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094483
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094670
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105829

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 55094247) is 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCCCN(CCO)CC1CC(CC)CCC1O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is WBUWVKYJJDGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-8-16(9-10-17)12-14-11-13(4-2)6-7-15(14)18/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 55094247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).