N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide

C12H21F3N2O — CID 122564590

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
SMILESCN(C)C1(CNC(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3N2O/c1-17(2)11(6-3-4-7-11)9-16-10(18)5-8-12(13,14)15/h3-9H2,1-2H3,(H,16,18)
InChIKeyDQNYURYOXMTEHD-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.32
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide (PubChem CID 122564590) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
PubChem CID122564590
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
SMILESCN(C)C1(CNC(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3N2O/c1-17(2)11(6-3-4-7-11)9-16-10(18)5-8-12(13,14)15/h3-9H2,1-2H3,(H,16,18)
InChIKeyDQNYURYOXMTEHD-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
6-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylhexanamide
CID 83110420
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
2-(2,2-difluorocyclopropyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 122568972

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide (CID 122564590) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide is CN(C)C1(CNC(=O)CCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide?
The InChIKey is DQNYURYOXMTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17(2)11(6-3-4-7-11)9-16-10(18)5-8-12(13,14)15/h3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide has a molecular weight of 266.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 122564590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).