4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol

C15H29NO — CID 55094859

IUPAC4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCCC2CC)C1
InChIInChI=1S/C15H29NO/c1-3-12-7-8-15(17)13(10-12)11-16-9-5-6-14(16)4-2/h12-15,17H,3-11H2,1-2H3
InChIKeyMDALYGVPXAGTIO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds4

About 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol

4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 55094859) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID55094859
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCCC2CC)C1
InChIInChI=1S/C15H29NO/c1-3-12-7-8-15(17)13(10-12)11-16-9-5-6-14(16)4-2/h12-15,17H,3-11H2,1-2H3
InChIKeyMDALYGVPXAGTIO-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
CID 114339493
(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 11323509
2-[1-(3-Methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024215
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
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
4-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608868
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609041
4-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609382
4-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609390

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol (CID 55094859) is 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCCC2CC)C1.
What is the InChIKey of 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is MDALYGVPXAGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-12-7-8-15(17)13(10-12)11-16-9-5-6-14(16)4-2/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol?
4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).