(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate

C16H29NO2 — CID 118031632

IUPAC(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(C)(CCC1CCCCC1)OC(=O)N1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,11-10-14-8-4-3-5-9-14)19-15(18)17-12-6-7-13-17/h14H,3-13H2,1-2H3
InChIKeyGZKGBUZJWLZXOM-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.36
Rot. Bonds4

About (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate

(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate (PubChem CID 118031632) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
PubChem CID118031632
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(C)(CCC1CCCCC1)OC(=O)N1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,11-10-14-8-4-3-5-9-14)19-15(18)17-12-6-7-13-17/h14H,3-13H2,1-2H3
InChIKeyGZKGBUZJWLZXOM-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
tert-butyl 7-nonyl-azacyclododecane-1-carboxylate
CID 139299125
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
(2-methyl-4-oxopentan-2-yl) piperidine-1-carboxylate
CID 70112881
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
2-cyclohexyloxypropan-2-yl piperidine-1-carboxylate
CID 170530031
tert-butyl 3-ethylazepane-1-carboxylate
CID 118248120
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate (CID 118031632) is (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate is CC(C)(CCC1CCCCC1)OC(=O)N1CCCC1.
What is the InChIKey of (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate?
The InChIKey is GZKGBUZJWLZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,11-10-14-8-4-3-5-9-14)19-15(18)17-12-6-7-13-17/h14H,3-13H2,1-2H3.
What are the key properties of (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate?
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 118031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).