(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide

C13H21F3N2O — CID 94114452

IUPAC(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
SMILESCN(CCCNC(=O)[C@H]1CC=CCC1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-18(10-13(14,15)16)9-5-8-17-12(19)11-6-3-2-4-7-11/h2-3,11H,4-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyFHCITWHAQIJSDO-NSHDSACASA-N
MW278.32 g/mol
LogP2.34
Rot. Bonds6

About (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94114452) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
PubChem CID94114452
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
SMILESCN(CCCNC(=O)[C@H]1CC=CCC1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-18(10-13(14,15)16)9-5-8-17-12(19)11-6-3-2-4-7-11/h2-3,11H,4-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyFHCITWHAQIJSDO-NSHDSACASA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methylarachidonoyl-(2'-fluoroethyl)amide
CID 5283437
N-[(1S)-cyclohex-3-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 129349314
2-[(1R)-cyclopent-2-en-1-yl]-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 97864631
N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
CID 3318
N-(3,7-dimethyloct-6-enyl)-2,2,2-trifluoroacetamide
CID 12523880
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
(1S,2S)-1-Trifluoroacetamido-2-(4-methyl-piperidino)carbonyl-4-cyclohexene
CID 57180950
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 70870290
4-amino-N-methyl-N-[(Z)-5-(trifluoromethyl)hept-3-en-2-yl]cyclohex-3-ene-1-carboxamide
CID 70892520
4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
CID 70974417
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
N-[[(1R,4R)-4-(2-amino-2-oxoethyl)cyclopent-2-en-1-yl]methyl]-2,2,2-trifluoroacetamide
CID 89472517

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide (CID 94114452) is (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide is CN(CCCNC(=O)[C@H]1CC=CCC1)CC(F)(F)F.
What is the InChIKey of (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is FHCITWHAQIJSDO-NSHDSACASA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-18(10-13(14,15)16)9-5-8-17-12(19)11-6-3-2-4-7-11/h2-3,11H,4-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94114452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).