N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O — CID 106607311

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1CCCN1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-19(9-10-5-4-8-18-10)13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyCBHYNLHCIDVVMI-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106607311) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106607311
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1CCCN1)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-19(9-10-5-4-8-18-10)13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyCBHYNLHCIDVVMI-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621885
N-methyl-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106607658
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760359
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106607375
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
2-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607818
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
CID 97170855
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
N-methyl-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106627526

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106607311) is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CC1CCCN1)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CBHYNLHCIDVVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-19(9-10-5-4-8-18-10)13(20)11-6-2-3-7-12(11)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106607311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).