4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile

C14H24N2O — CID 61407617

IUPAC4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC2CO)C1
InChIInChI=1S/C14H24N2O/c1-2-11-5-6-12(9-15)14(8-11)16-7-3-4-13(16)10-17/h11-14,17H,2-8,10H2,1H3
InChIKeyXWWVEINTFDVDOP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.16
Rot. Bonds3

About 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 61407617) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID61407617
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC2CO)C1
InChIInChI=1S/C14H24N2O/c1-2-11-5-6-12(9-15)14(8-11)16-7-3-4-13(16)10-17/h11-14,17H,2-8,10H2,1H3
InChIKeyXWWVEINTFDVDOP-UHFFFAOYSA-N
XLogP2.16
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(2-ethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291929
2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 61406591
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
4-tert-butyl-2-(2-ethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 104689861
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 63091654
4-ethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]cyclohexane-1-carbonitrile
CID 114776918
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 62467729

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile (CID 61407617) is 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCCC2CO)C1.
What is the InChIKey of 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is XWWVEINTFDVDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-11-5-6-12(9-15)14(8-11)16-7-3-4-13(16)10-17/h11-14,17H,2-8,10H2,1H3.
What are the key properties of 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 61407617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).