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

C12H22F3N3O3 — CID 68531637

IUPACN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H21N3O.C2HF3O2/c1-13(2)7-10(14)12-9-5-3-8(11)4-6-9;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3,(H,12,14);(H,6,7)
InChIKeyMDWDPQPQINORDW-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.57
Rot. Bonds3

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

N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 68531637) has the molecular formula C12H22F3N3O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID68531637
Molecular FormulaC12H22F3N3O3
Molecular Weight313.32 g/mol
Exact Mass313.16
IUPAC NameN-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H21N3O.C2HF3O2/c1-13(2)7-10(14)12-9-5-3-8(11)4-6-9;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3,(H,12,14);(H,6,7)
InChIKeyMDWDPQPQINORDW-UHFFFAOYSA-N
XLogP0.57
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-2-piperazinone trifluoroacetate
CID 53398839
N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid
CID 66819143
1-Butylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67085070
1-Cyclobutyl-5-ethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 67363609
(2S)-N,N-dimethylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67427860
N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid
CID 68634217
N-(4-aminocyclohexyl)-2-(dimethylamino)-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 69061121
2-amino-N-(4-aminocyclohexyl)-N,2-dimethylpropanamide;2,2,2-trifluoroacetic acid
CID 69700683
(2S)-2-amino-1-piperidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid
CID 69908028
(2S)-2-(cyclohexylamino)-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69908093
(2S)-2-(cyclohexylamino)-1-pyrrolidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69908686
1-Cyclopentyl-2-piperazinone trifluoroacetate
CID 75530651

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 68531637) is N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is CN(C)CC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MDWDPQPQINORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C2HF3O2/c1-13(2)7-10(14)12-9-5-3-8(11)4-6-9;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3,(H,12,14);(H,6,7).
What are the key properties of N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 313.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68531637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).