(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide

C20H31N2O+ — CID 7071924

IUPAC(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CCC[NH+]2C2CCCCC2)c(C)c1
InChIInChI=1S/C20H30N2O/c1-14-12-15(2)19(16(3)13-14)21-20(23)18-10-7-11-22(18)17-8-5-4-6-9-17/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1
InChIKeyAHWVRPGVKAZVCR-GOSISDBHSA-O
MW315.48 g/mol
LogP2.93
Rot. Bonds3

About (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide

(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide (PubChem CID 7071924) has the molecular formula C20H31N2O+ and a molecular weight of 315.48 g/mol. Its IUPAC name is (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
PubChem CID7071924
Molecular FormulaC20H31N2O+
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC Name(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CCC[NH+]2C2CCCCC2)c(C)c1
InChIInChI=1S/C20H30N2O/c1-14-12-15(2)19(16(3)13-14)21-20(23)18-10-7-11-22(18)17-8-5-4-6-9-17/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1
InChIKeyAHWVRPGVKAZVCR-GOSISDBHSA-O
XLogP2.93
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide (CID 7071924) is (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide is Cc1cc(C)c(NC(=O)[C@H]2CCC[NH+]2C2CCCCC2)c(C)c1.
What is the InChIKey of (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
The InChIKey is AHWVRPGVKAZVCR-GOSISDBHSA-O. The full InChI is InChI=1S/C20H30N2O/c1-14-12-15(2)19(16(3)13-14)21-20(23)18-10-7-11-22(18)17-8-5-4-6-9-17/h12-13,17-18H,4-11H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1.
What are the key properties of (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide?
(2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide has a molecular weight of 315.48 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 7071924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).