N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 104622833

IUPACN-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CCN)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9(6-7-17)8-18-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyNJEVPEZYSGREML-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622833) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622833
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(CCN)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-9(6-7-17)8-18-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyNJEVPEZYSGREML-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-butylcyclohexanecarboxamide
CID 3544722
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
2-cyclohexyl-N-dodecylacetamide
CID 22978779
N-dodecylcyclohexanecarboxamide
CID 3730607
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-(2-methylpropyl)cyclohexanecarboxamide
CID 4642219
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622833) is N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(CCN)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NJEVPEZYSGREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(6-7-17)8-18-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).