N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide

C11H21F3N4O — CID 109472755

IUPACN,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H21F3N4O/c1-10(2,8(19)15-3)7-18-9(16-4)17-6-5-11(12,13)14/h5-7H2,1-4H3,(H,15,19)(H2,16,17,18)
InChIKeyGEGISBQBSQIYEF-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.88
Rot. Bonds5

About N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide

N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide (PubChem CID 109472755) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
PubChem CID109472755
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC NameN,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(F)(F)F)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H21F3N4O/c1-10(2,8(19)15-3)7-18-9(16-4)17-6-5-11(12,13)14/h5-7H2,1-4H3,(H,15,19)(H2,16,17,18)
InChIKeyGEGISBQBSQIYEF-UHFFFAOYSA-N
XLogP0.88
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.88
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

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,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
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109472024
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472025
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 109472026
3-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472027

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide (CID 109472755) is N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide is C/N=C(\NCCC(F)(F)F)NCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The InChIKey is GEGISBQBSQIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-10(2,8(19)15-3)7-18-9(16-4)17-6-5-11(12,13)14/h5-7H2,1-4H3,(H,15,19)(H2,16,17,18).
What are the key properties of N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide has a molecular weight of 282.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 109472755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).