4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol

C14H29NO2 — CID 55094394

IUPAC4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CCO)CC1CC(CC)CCC1O
InChIInChI=1S/C14H29NO2/c1-3-7-15(8-9-16)11-13-10-12(4-2)5-6-14(13)17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyNVXDKWYPTHVXSG-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.88
Rot. Bonds7

About 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol

4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol (PubChem CID 55094394) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
PubChem CID55094394
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CCO)CC1CC(CC)CCC1O
InChIInChI=1S/C14H29NO2/c1-3-7-15(8-9-16)11-13-10-12(4-2)5-6-14(13)17/h12-14,16-17H,3-11H2,1-2H3
InChIKeyNVXDKWYPTHVXSG-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[(2-amino-5-ethylcyclohexyl)methyl-(2-methoxyethyl)amino]ethanol
CID 113468089
2-[[bis(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105830
2-[[cyclohexylmethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 63488742
4-ethyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62611284
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62611313
2-[(2-amino-5-ethylcyclohexyl)methyl-methylamino]ethanol
CID 62610999
2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentan-1-ol
CID 62609054
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
2-[(N-butylanilino)methyl]-4-ethylcyclohexan-1-ol
CID 64585632

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol (CID 55094394) is 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol is CCCN(CCO)CC1CC(CC)CCC1O.
What is the InChIKey of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NVXDKWYPTHVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-7-15(8-9-16)11-13-10-12(4-2)5-6-14(13)17/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-hydroxyethyl(propyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).