(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine

C14H27N — CID 90238924

IUPAC(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine
SMILESCC[C@H]1CN(C2CCCCC2)C[C@@H]1CC
InChIInChI=1S/C14H27N/c1-3-12-10-15(11-13(12)4-2)14-8-6-5-7-9-14/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyJETPJOJXOZEASN-STQMWFEESA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds3

About (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine

(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine (PubChem CID 90238924) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine
PubChem CID90238924
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine
SMILESCC[C@H]1CN(C2CCCCC2)C[C@@H]1CC
InChIInChI=1S/C14H27N/c1-3-12-10-15(11-13(12)4-2)14-8-6-5-7-9-14/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyJETPJOJXOZEASN-STQMWFEESA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-ethylazetidine
CID 126716457
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307
1-cyclohexyl-5-ethylpiperidin-3-amine
CID 83989282
1-cyclodecyl-3-methylazetidine
CID 155016918
(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine
CID 45254801
3-tert-butyl-1-cyclohexylazetidine
CID 122606400
(3S,4R)-3-butyl-1-cyclohexylpiperidin-4-amine;hydrochloride
CID 45254800
1-cyclohexyl-5-propylpiperidin-3-amine
CID 83989283
1-cyclooctyl-4-ethylpiperidine
CID 166912803
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
3-cyclohexyl-1-ethyl-1-methyl-1,3-diazetidin-1-ium
CID 162288942
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine?
The IUPAC name of (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine (CID 90238924) is (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine.
What is the SMILES notation for (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine?
The canonical SMILES for (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine is CC[C@H]1CN(C2CCCCC2)C[C@@H]1CC.
What is the InChIKey of (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine?
The InChIKey is JETPJOJXOZEASN-STQMWFEESA-N. The full InChI is InChI=1S/C14H27N/c1-3-12-10-15(11-13(12)4-2)14-8-6-5-7-9-14/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine?
(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine is sourced from PubChem (CID 90238924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).