(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate

C14H25NO2 — CID 64732817

IUPAC(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2(C)CCCN2)C1
InChIInChI=1S/C14H25NO2/c1-10-7-11(2)9-12(8-10)17-13(16)14(3)5-4-6-15-14/h10-12,15H,4-9H2,1-3H3
InChIKeyQJCWICXLTPAQAA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate

(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate (PubChem CID 64732817) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
PubChem CID64732817
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2(C)CCCN2)C1
InChIInChI=1S/C14H25NO2/c1-10-7-11(2)9-12(8-10)17-13(16)14(3)5-4-6-15-14/h10-12,15H,4-9H2,1-3H3
InChIKeyQJCWICXLTPAQAA-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate (CID 64732817) is (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate is CC1CC(C)CC(OC(=O)C2(C)CCCN2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate?
The InChIKey is QJCWICXLTPAQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-7-11(2)9-12(8-10)17-13(16)14(3)5-4-6-15-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate?
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 64732817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).