2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

C11H19F3N2O — CID 114290544

IUPAC2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(2,6-15)9(17)16(8-4-5-8)7-11(12,13)14/h8H,3-7,15H2,1-2H3
InChIKeyRTRIOMZRTDXBED-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114290544) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114290544
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c1-3-10(2,6-15)9(17)16(8-4-5-8)7-11(12,13)14/h8H,3-7,15H2,1-2H3
InChIKeyRTRIOMZRTDXBED-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
CID 114290733
2-N-cyclopropyl-2-ethyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 114996634
3-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835048
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
CID 114948724
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
5-(aminomethyl)-1,1,1-trifluoro-5-methylheptan-4-one
CID 116611006

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114290544) is 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(C)(CN)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RTRIOMZRTDXBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-10(2,6-15)9(17)16(8-4-5-8)7-11(12,13)14/h8H,3-7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114290544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).