N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid

C13H24F3N3O3 — CID 69061121

IUPACN-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N(C)C1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3O.C2HF3O2/c1-13(2)8-11(15)14(3)10-6-4-9(12)5-7-10;3-2(4,5)1(6)7/h9-10H,4-8,12H2,1-3H3;(H,6,7)
InChIKeyOJZNEFDYWVOXLO-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.91
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid

N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 69061121) has the molecular formula C13H24F3N3O3 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid
PubChem CID69061121
Molecular FormulaC13H24F3N3O3
Molecular Weight327.35 g/mol
Exact Mass327.18
IUPAC NameN-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N(C)C1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3O.C2HF3O2/c1-13(2)8-11(15)14(3)10-6-4-9(12)5-7-10;3-2(4,5)1(6)7/h9-10H,4-8,12H2,1-3H3;(H,6,7)
InChIKeyOJZNEFDYWVOXLO-UHFFFAOYSA-N
XLogP0.91
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid (CID 69061121) is N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid is CN(C)CC(=O)N(C)C1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OJZNEFDYWVOXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2HF3O2/c1-13(2)8-11(15)14(3)10-6-4-9(12)5-7-10;3-2(4,5)1(6)7/h9-10H,4-8,12H2,1-3H3;(H,6,7).
What are the key properties of N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid?
N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 327.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69061121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).