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

C10H19F3N4O — CID 109471439

IUPACN,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)N(C)C)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-14-9(16-7-5-10(11,12)13)15-6-4-8(18)17(2)3/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyKLCYJYWKYQTIJX-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.58
Rot. Bonds5

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

N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide (PubChem CID 109471439) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
PubChem CID109471439
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)N(C)C)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-14-9(16-7-5-10(11,12)13)15-6-4-8(18)17(2)3/h4-7H2,1-3H3,(H2,14,15,16)
InChIKeyKLCYJYWKYQTIJX-UHFFFAOYSA-N
XLogP0.58
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide (CID 109471439) is N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide is C/N=C(\NCCC(=O)N(C)C)NCCC(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
The InChIKey is KLCYJYWKYQTIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-14-9(16-7-5-10(11,12)13)15-6-4-8(18)17(2)3/h4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide?
N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide has a molecular weight of 268.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 109471439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).