N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide

C9H15F3N2O — CID 116651949

IUPACN-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C(CN)C1CC1
InChIInChI=1S/C9H15F3N2O/c1-14(7(5-13)6-2-3-6)8(15)4-9(10,11)12/h6-7H,2-5,13H2,1H3
InChIKeyFWKNZOZGAKFHDO-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide

N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 116651949) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID116651949
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(C(=O)CC(F)(F)F)C(CN)C1CC1
InChIInChI=1S/C9H15F3N2O/c1-14(7(5-13)6-2-3-6)8(15)4-9(10,11)12/h6-7H,2-5,13H2,1H3
InChIKeyFWKNZOZGAKFHDO-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 116651609
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 116651762
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
N-(2-amino-1-cyclopropylethyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 116651597
N-(2-amino-1-cyclopropylethyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 116651586
N-(2-amino-1-cyclopropylethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 116651728
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107181073
1-(2-amino-1-cyclopropylethyl)-3-butyl-1-methylurea
CID 116652081
N-(2-amino-1-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)-N-methylpropanamide
CID 116652027
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide (CID 116651949) is N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide is CN(C(=O)CC(F)(F)F)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is FWKNZOZGAKFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-14(7(5-13)6-2-3-6)8(15)4-9(10,11)12/h6-7H,2-5,13H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 224.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 116651949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).