N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide

C9H13F5N2O — CID 114038176

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCN(CCNC(=O)C(F)(F)C(F)(F)F)C1CC1
InChIInChI=1S/C9H13F5N2O/c1-16(6-2-3-6)5-4-15-7(17)8(10,11)9(12,13)14/h6H,2-5H2,1H3,(H,15,17)
InChIKeyOEZUVHLBHLRNAH-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.39
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038176) has the molecular formula C9H13F5N2O and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038176
Molecular FormulaC9H13F5N2O
Molecular Weight260.21 g/mol
Exact Mass260.09
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCN(CCNC(=O)C(F)(F)C(F)(F)F)C1CC1
InChIInChI=1S/C9H13F5N2O/c1-16(6-2-3-6)5-4-15-7(17)8(10,11)9(12,13)14/h6H,2-5H2,1H3,(H,15,17)
InChIKeyOEZUVHLBHLRNAH-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;dihydrochloride
CID 119863852
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
CID 62978700
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide (CID 114038176) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide is CN(CCNC(=O)C(F)(F)C(F)(F)F)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is OEZUVHLBHLRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2O/c1-16(6-2-3-6)5-4-15-7(17)8(10,11)9(12,13)14/h6H,2-5H2,1H3,(H,15,17).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 260.21 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).