2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C12H19F3N2O — CID 115587189

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CC=CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-9(11(18)17-8-12(13,14)15)16-7-10-5-3-2-4-6-10/h2-3,9-10,16H,4-8H2,1H3,(H,17,18)
InChIKeyFFXUBALMZCZATC-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.00
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115587189) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115587189
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CC=CCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-9(11(18)17-8-12(13,14)15)16-7-10-5-3-2-4-6-10/h2-3,9-10,16H,4-8H2,1H3,(H,17,18)
InChIKeyFFXUBALMZCZATC-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
2-(oxolan-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115581038
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
CID 43750476
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115587189) is 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1CC=CCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FFXUBALMZCZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9(11(18)17-8-12(13,14)15)16-7-10-5-3-2-4-6-10/h2-3,9-10,16H,4-8H2,1H3,(H,17,18).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 264.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).