N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 170305905

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC1CCC(N(C)C(C)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-8(13)12(3)10-6-4-9(11-2)5-7-10;3-2(4,5)1(6)7/h9-11H,4-7H2,1-3H3;(H,6,7)
InChIKeyIOGVNQJLFVKACJ-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid

N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 170305905) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID170305905
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC1CCC(N(C)C(C)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-8(13)12(3)10-6-4-9(11-2)5-7-10;3-2(4,5)1(6)7/h9-11H,4-7H2,1-3H3;(H,6,7)
InChIKeyIOGVNQJLFVKACJ-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid (CID 170305905) is N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid is CNC1CCC(N(C)C(C)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is IOGVNQJLFVKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-8(13)12(3)10-6-4-9(11-2)5-7-10;3-2(4,5)1(6)7/h9-11H,4-7H2,1-3H3;(H,6,7).
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid?
N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170305905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).