N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 106116090

IUPACN-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-2-5-11(8-9-19)10-20-14(21)12-6-3-4-7-13(12)15(16,17)18/h11-13H,2-10,19H2,1H3,(H,20,21)
InChIKeyUUYGEIWVAWCEOT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106116090) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106116090
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H27F3N2O/c1-2-5-11(8-9-19)10-20-14(21)12-6-3-4-7-13(12)15(16,17)18/h11-13H,2-10,19H2,1H3,(H,20,21)
InChIKeyUUYGEIWVAWCEOT-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-butylcyclohexanecarboxamide
CID 3544722
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
2-cyclohexyl-N-dodecylacetamide
CID 22978779
N-dodecylcyclohexanecarboxamide
CID 3730607
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-(2-methylpropyl)cyclohexanecarboxamide
CID 4642219
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106116090) is N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCCC(CCN)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UUYGEIWVAWCEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-5-11(8-9-19)10-20-14(21)12-6-3-4-7-13(12)15(16,17)18/h11-13H,2-10,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106116090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).