2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N4O — CID 111671008

IUPAC2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-3-4-5-15-9(14)16-6-8(18)17(2)7-10(11,12)13/h3-7H2,1-2H3,(H3,14,15,16)
InChIKeyOORJGWGRMOVIEC-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.71
Rot. Bonds6

About 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111671008) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111671008
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-3-4-5-15-9(14)16-6-8(18)17(2)7-10(11,12)13/h3-7H2,1-2H3,(H3,14,15,16)
InChIKeyOORJGWGRMOVIEC-UHFFFAOYSA-N
XLogP0.71
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111671008) is 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN/C(N)=N/CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OORJGWGRMOVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-3-4-5-15-9(14)16-6-8(18)17(2)7-10(11,12)13/h3-7H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(butylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111671008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).