4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile

C15H26N2O — CID 81468574

IUPAC4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CC(C)N(C)C2)CC1
InChIInChI=1S/C15H26N2O/c1-4-13-5-7-14(10-16,8-6-13)15(18)9-12(2)17(3)11-15/h12-13,18H,4-9,11H2,1-3H3
InChIKeyUQZYMTJNTQRQLB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.55
Rot. Bonds2

About 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile

4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile (PubChem CID 81468574) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
PubChem CID81468574
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CC(C)N(C)C2)CC1
InChIInChI=1S/C15H26N2O/c1-4-13-5-7-14(10-16,8-6-13)15(18)9-12(2)17(3)11-15/h12-13,18H,4-9,11H2,1-3H3
InChIKeyUQZYMTJNTQRQLB-UHFFFAOYSA-N
XLogP2.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 81468362
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
CID 79130260
3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
CID 79132877
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile (CID 81468574) is 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CC(C)N(C)C2)CC1.
What is the InChIKey of 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile?
The InChIKey is UQZYMTJNTQRQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-5-7-14(10-16,8-6-13)15(18)9-12(2)17(3)11-15/h12-13,18H,4-9,11H2,1-3H3.
What are the key properties of 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile?
4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 81468574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).