N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

C11H16F6N2O — CID 103310395

IUPACN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1CCCC1CN
InChIInChI=1S/C11H16F6N2O/c1-19(7-4-2-3-6(7)5-18)9(20)8(10(12,13)14)11(15,16)17/h6-8H,2-5,18H2,1H3
InChIKeyKUBCQHMCONDBQG-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.31
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 103310395) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID103310395
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(C(F)(F)F)C(F)(F)F)C1CCCC1CN
InChIInChI=1S/C11H16F6N2O/c1-19(7-4-2-3-6(7)5-18)9(20)8(10(12,13)14)11(15,16)17/h6-8H,2-5,18H2,1H3
InChIKeyKUBCQHMCONDBQG-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
CID 104520757
N-[2-(aminomethyl)cyclopentyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002255
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 60891551
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603464
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
CID 79160948
3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
CID 106914920
N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
CID 79151771
2-(aminomethyl)-N-methyl-N-propan-2-ylcyclopentan-1-amine
CID 43293401
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
N-[2-(aminomethyl)cyclohexyl]-N-methylhept-6-ynamide
CID 114028634

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (CID 103310395) is N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is CN(C(=O)C(C(F)(F)F)C(F)(F)F)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is KUBCQHMCONDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O/c1-19(7-4-2-3-6(7)5-18)9(20)8(10(12,13)14)11(15,16)17/h6-8H,2-5,18H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 306.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).