N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H21F3N2O2 — CID 103212976

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(CNC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-6-10(18)17-8-11(7-16)4-2-1-3-5-11/h1-9,16H2,(H,17,18)
InChIKeyIBCJVYXFDGYXMY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.59
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212976) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212976
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(CNC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-6-10(18)17-8-11(7-16)4-2-1-3-5-11/h1-9,16H2,(H,17,18)
InChIKeyIBCJVYXFDGYXMY-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119565474
tert-butyl N-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cycloheptyl]carbamate
CID 87036408
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604290
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-methoxy-3-methylbutanamide
CID 103022557
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 112604289
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212976) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCC1(CNC(=O)COCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IBCJVYXFDGYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-19-6-10(18)17-8-11(7-16)4-2-1-3-5-11/h1-9,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).