N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 107493564

IUPACN-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCN)CC(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O/c1-2-3-4-12-5-7-13(8-6-12)14(21)20(10-9-19)11-15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyJOJXBYIBKWALQN-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.33
Rot. Bonds7

About N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107493564) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107493564
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCN)CC(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O/c1-2-3-4-12-5-7-13(8-6-12)14(21)20(10-9-19)11-15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyJOJXBYIBKWALQN-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493690
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
CID 55220481
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107493564) is N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CCN)CC(F)(F)F)CC1.
What is the InChIKey of N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is JOJXBYIBKWALQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-3-4-12-5-7-13(8-6-12)14(21)20(10-9-19)11-15(16,17)18/h12-13H,2-11,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107493564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).