N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H21F3N2O2 — CID 103212934

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1CCCCC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-11(18)17-6-10-4-2-1-3-9(10)5-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyZGBJDMFNLRSMDQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.45
Rot. Bonds6

About N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212934) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212934
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1CCCCC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-11(18)17-6-10-4-2-1-3-9(10)5-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyZGBJDMFNLRSMDQ-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807208
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206941
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212976
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212934) is N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCC1CCCCC1CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ZGBJDMFNLRSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-19-7-11(18)17-6-10-4-2-1-3-9(10)5-16/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).