N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide

C11H19F3N2O — CID 43653338

IUPACN-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
SMILESCCNC1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-15-8-3-5-9(6-4-8)16-10(17)7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyMHIWRWCIFAOAJX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.98
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide

N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide (PubChem CID 43653338) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
PubChem CID43653338
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
SMILESCCNC1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-15-8-3-5-9(6-4-8)16-10(17)7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyMHIWRWCIFAOAJX-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225
N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206325
[4-(ethylamino)cyclohexyl]urea
CID 43653665
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
2-ethyl-N-[4-(ethylamino)cyclohexyl]butanamide
CID 43653291
N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide
CID 126789274
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
CID 136527089
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
N-ethylcyclopropanamine;hydrochloride
CID 43810659
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide (CID 43653338) is N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide is CCNC1CCC(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide?
The InChIKey is MHIWRWCIFAOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-15-8-3-5-9(6-4-8)16-10(17)7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide?
N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide has a molecular weight of 252.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 43653338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).