N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide

C15H28F3N5O — CID 109471861

IUPACN,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
SMILESC/N=C(/NCCCN1CCCC1C(=O)N(C)C)NCCC(F)(F)F
InChIInChI=1S/C15H28F3N5O/c1-19-14(21-9-7-15(16,17)18)20-8-5-11-23-10-4-6-12(23)13(24)22(2)3/h12H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyIULGZPPOHADVKZ-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.05
Rot. Bonds7

About N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide

N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide (PubChem CID 109471861) has the molecular formula C15H28F3N5O and a molecular weight of 351.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
PubChem CID109471861
Molecular FormulaC15H28F3N5O
Molecular Weight351.42 g/mol
Exact Mass351.22
IUPAC NameN,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
SMILESC/N=C(/NCCCN1CCCC1C(=O)N(C)C)NCCC(F)(F)F
InChIInChI=1S/C15H28F3N5O/c1-19-14(21-9-7-15(16,17)18)20-8-5-11-23-10-4-6-12(23)13(24)22(2)3/h12H,4-11H2,1-3H3,(H2,19,20,21)
InChIKeyIULGZPPOHADVKZ-UHFFFAOYSA-N
XLogP1.05
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide (CID 109471861) is N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide is C/N=C(/NCCCN1CCCC1C(=O)N(C)C)NCCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide?
The InChIKey is IULGZPPOHADVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N5O/c1-19-14(21-9-7-15(16,17)18)20-8-5-11-23-10-4-6-12(23)13(24)22(2)3/h12H,4-11H2,1-3H3,(H2,19,20,21).
What are the key properties of N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 109471861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).