N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C14H20F3N3O — CID 114610419

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)9-20-7-3-6-12(20)13(21)19-11-5-2-1-4-10(11)8-18/h3,6-7,10-11H,1-2,4-5,8-9,18H2,(H,19,21)
InChIKeyROTDAMUUCZEVTB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114610419) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114610419
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cccn1CC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)9-20-7-3-6-12(20)13(21)19-11-5-2-1-4-10(11)8-18/h3,6-7,10-11H,1-2,4-5,8-9,18H2,(H,19,21)
InChIKeyROTDAMUUCZEVTB-UHFFFAOYSA-N
XLogP2.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
CID 114179190
N-[(1R,2R)-2-aminocyclohexyl]-1-ethylpyrrole-2-carboxamide
CID 93451491
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119609496
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609897
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 167856111
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119604762
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114610419) is N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is NCC1CCCCC1NC(=O)c1cccn1CC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is ROTDAMUUCZEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)9-20-7-3-6-12(20)13(21)19-11-5-2-1-4-10(11)8-18/h3,6-7,10-11H,1-2,4-5,8-9,18H2,(H,19,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).