N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide

C10H15F3N2O — CID 14025461

IUPACN-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C#CCN(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(6-5-7-14(2)3)15(4)9(16)10(11,12)13/h8H,7H2,1-4H3
InChIKeyUYILEPARAYWSOT-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.96
Rot. Bonds2

About N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide

N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 14025461) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID14025461
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C#CCN(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(6-5-7-14(2)3)15(4)9(16)10(11,12)13/h8H,7H2,1-4H3
InChIKeyUYILEPARAYWSOT-UHFFFAOYSA-N
XLogP0.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
CID 14025460
Acetamide, N-(4-(dimethylamino)-1-methyl-2-butynyl)-N-methyl-, (+-)-
CID 54932
Trimethyl-[4-[methyl-(2,2,2-trifluoroacetyl)amino]pent-2-ynyl]azanium
CID 14025469
2,2,2-Trifluoro-N,N-bis(1-methylethyl)acetamide
CID 587652
N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide
CID 11098349
N,N-diethyl-4,4,4-trifluorobut-2-ynamide
CID 85687523
Trifluoroacetamide, N-isopropyl-N-propyl-
CID 539385
2,2-difluoro-N,N-di(propan-2-yl)acetamide
CID 14928300
2,2,2-trifluoro-N-propan-2-yl-N-prop-2-ynylacetamide
CID 20667237
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770756
N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60770830
N-isopropyl-N-methyltrifluoroacetamide
CID 64592054

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide (CID 14025461) is N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide is CC(C#CCN(C)C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is UYILEPARAYWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(6-5-7-14(2)3)15(4)9(16)10(11,12)13/h8H,7H2,1-4H3.
What are the key properties of N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 236.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pent-3-yn-2-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 14025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).