N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

C12H21F3N2O — CID 51080881

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18)
InChIKeyFUNVJBUEGKOBKP-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds6

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 51080881) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
PubChem CID51080881
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
SMILESCN(CCCNC(=O)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18)
InChIKeyFUNVJBUEGKOBKP-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Valeramide, N-(3-(dimethylamino)propyl)-2-propyl-
CID 201023
N-isobutylcyclopentanecarboxamide
CID 4460755
2-cyclopentyl-N-(4-(dimethylamino)but-2-yn-1-yl)acetamide
CID 71792395
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
N-(1-ethylpiperidin-4-yl)cyclopentanecarboxamide
CID 17250295
N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
CID 99831545
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide
CID 122159092
N-{[1-(Dimethylamino)cyclopentyl]methyl}-4,4,4-trifluorobutanamide
CID 122564590
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide
CID 129348576
4-cyclopropyl-N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 164630344
N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4200833

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (CID 51080881) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is CN(CCCNC(=O)C1CCCC1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is FUNVJBUEGKOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 51080881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).