3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H21F3N2O2 — CID 107487353

IUPAC3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-17(4-5-18)11(19)10-3-1-2-9(6-10)7-16/h9-10,18H,1-8,16H2
InChIKeyAZKHCQRSPMACQZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.13
Rot. Bonds5

About 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107487353) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107487353
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNCC1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-17(4-5-18)11(19)10-3-1-2-9(6-10)7-16/h9-10,18H,1-8,16H2
InChIKeyAZKHCQRSPMACQZ-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107482291
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102871203
3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
CID 62807652
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102998102
3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857392
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107487353) is 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is NCC1CCCC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is AZKHCQRSPMACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-17(4-5-18)11(19)10-3-1-2-9(6-10)7-16/h9-10,18H,1-8,16H2.
What are the key properties of 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107487353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).