N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide

C11H19F3N2O — CID 79112531

IUPACN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(10(17)11(12,13)14)9-5-3-8(15)4-6-9/h8-9H,2-7,15H2,1H3
InChIKeyWKKVWKKUWMQUIJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.06
Rot. Bonds3

About N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide

N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide (PubChem CID 79112531) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
PubChem CID79112531
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
SMILESCCCN(C(=O)C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-7-16(10(17)11(12,13)14)9-5-3-8(15)4-6-9/h8-9H,2-7,15H2,1H3
InChIKeyWKKVWKKUWMQUIJ-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide (CID 79112531) is N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide is CCCN(C(=O)C(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide?
The InChIKey is WKKVWKKUWMQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-7-16(10(17)11(12,13)14)9-5-3-8(15)4-6-9/h8-9H,2-7,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide?
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide has a molecular weight of 252.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide is sourced from PubChem (CID 79112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).