2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

C13H23F3N2O — CID 106592804

IUPAC2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C13H23F3N2O/c1-3-18(8-13(14,15)16)12(19)9(2)10-5-4-6-11(17)7-10/h9-11H,3-8,17H2,1-2H3
InChIKeyPYAVAIKQTVIQEQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106592804) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106592804
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C13H23F3N2O/c1-3-18(8-13(14,15)16)12(19)9(2)10-5-4-6-11(17)7-10/h9-11H,3-8,17H2,1-2H3
InChIKeyPYAVAIKQTVIQEQ-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(3-aminobutyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 57325074
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
2,2,2-trifluoro-N-(1-(4-oxocyclohexyl)propyl)acetamide
CID 86660468
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
CID 90155064
N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 91198203
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
CID 121439145
3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 130487780
(5R)-N-[(2S)-2,4-difluoro-3-methylcyclohexyl]-5-formamido-8-methylnonanamide
CID 134441964
5-[(1R)-1-acetamido-2-fluoroethyl]-N-[(2S)-1-fluoro-3-[4-[(1-fluoro-3-propan-2-ylheptan-2-yl)amino]-4-oxobutan-2-yl]heptan-2-yl]-4-methylnonanamide
CID 134503650
(5S)-5-[(1S)-1-[[(4S)-4-(1-acetamido-2-fluoroethyl)octanoyl]amino]-2-fluoroethyl]-N-[(3S)-1-fluoro-3-propan-2-ylheptan-2-yl]-4-methylnonanamide
CID 134503651
4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 139374702

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 106592804) is 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PYAVAIKQTVIQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-18(8-13(14,15)16)12(19)9(2)10-5-4-6-11(17)7-10/h9-11H,3-8,17H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).