3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol

C14H27NO — CID 81468229

IUPAC3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCCC1CCCCC1C1(O)CC(C)N(C)C1
InChIInChI=1S/C14H27NO/c1-4-12-7-5-6-8-13(12)14(16)9-11(2)15(3)10-14/h11-13,16H,4-10H2,1-3H3
InChIKeyAOMQEEISMYIPIV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds2

About 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol

3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468229) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468229
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCCC1CCCCC1C1(O)CC(C)N(C)C1
InChIInChI=1S/C14H27NO/c1-4-12-7-5-6-8-13(12)14(16)9-11(2)15(3)10-14/h11-13,16H,4-10H2,1-3H3
InChIKeyAOMQEEISMYIPIV-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-(pyrrolidin-2-yl)cyclohexan-1-ol
CID 119031221
1-[(2R)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 10103850
1-(1-Methylpyrrolidin-2-yl)cyclohexan-1-ol
CID 15758089
(1S,2S,4R)-1-methyl-4-propan-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 134931459
1-[(2S)-1-methylpyrrolidin-2-yl]cyclohexan-1-ol
CID 134976082
1-Cyclopropyl-3-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-3-ol
CID 114224452
3-Cyclohexyl-1-propan-2-ylazetidin-3-ol
CID 57674921
8-Tert-butyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 58959487
5-Butan-2-yl-1,3-dimethylpyrrolidin-3-ol
CID 66831180
8-Ethyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 67587397
8-Ethyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 67587815
1-(1-Pyrrolidin-1-ylethyl)cyclohexan-1-ol
CID 69984707

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol (CID 81468229) is 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol is CCC1CCCCC1C1(O)CC(C)N(C)C1.
What is the InChIKey of 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is AOMQEEISMYIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-12-7-5-6-8-13(12)14(16)9-11(2)15(3)10-14/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol?
3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).