N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide

C13H25F3N4O — CID 109474243

IUPACN-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)C/N=C(\NCC)NCCC(F)(F)F
InChIInChI=1S/C13H25F3N4O/c1-5-17-10(21)12(3,4)9-20-11(18-6-2)19-8-7-13(14,15)16/h5-9H2,1-4H3,(H,17,21)(H2,18,19,20)
InChIKeyRUEYVJLBWDNFHK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.66
Rot. Bonds7

About N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide

N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 109474243) has the molecular formula C13H25F3N4O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID109474243
Molecular FormulaC13H25F3N4O
Molecular Weight310.36 g/mol
Exact Mass310.20
IUPAC NameN-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)C/N=C(\NCC)NCCC(F)(F)F
InChIInChI=1S/C13H25F3N4O/c1-5-17-10(21)12(3,4)9-20-11(18-6-2)19-8-7-13(14,15)16/h5-9H2,1-4H3,(H,17,21)(H2,18,19,20)
InChIKeyRUEYVJLBWDNFHK-UHFFFAOYSA-N
XLogP1.66
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-dimethyl-3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propanamide
CID 109377447
N-cyclopentyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471061
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 109471270
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109471272
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109471273
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide
CID 109471281
N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109471438
N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471439
N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109471442
N-butan-2-yl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109471443
N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
CID 109471873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 109474243) is N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)C/N=C(\NCC)NCCC(F)(F)F.
What is the InChIKey of N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is RUEYVJLBWDNFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4O/c1-5-17-10(21)12(3,4)9-20-11(18-6-2)19-8-7-13(14,15)16/h5-9H2,1-4H3,(H,17,21)(H2,18,19,20).
What are the key properties of N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide?
N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 310.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 109474243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).