2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 65453779

IUPAC2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)10-7-9(2)4-5-11(10)17/h9-11H,3-8,17H2,1-2H3
InChIKeyFICOVMOWNQXCSL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 65453779) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID65453779
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(C)CCC1N
InChIInChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)10-7-9(2)4-5-11(10)17/h9-11H,3-8,17H2,1-2H3
InChIKeyFICOVMOWNQXCSL-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

Rel-(9AR,13AS)-1-isobutyryltetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201226
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CID 53511040
3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
CID 91659607
2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
CID 22090837
2,2,2-trifluoro-N-[(1S,2R)-2-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 22849533
N,N-bis(3-aminobutyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 57325074
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
CID 58331669
2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62776131
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486996
(1R,2S)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89486998
cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 117628532

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 65453779) is 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is FICOVMOWNQXCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-6-18(8-13(14,15)16)12(19)10-7-9(2)4-5-11(10)17/h9-11H,3-8,17H2,1-2H3.
What are the key properties of 2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
2-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide 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-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65453779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).