2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H27F3N4O — CID 111819652

IUPAC2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N4O/c1-10(2)6-5-7-11(3)20-13(18)19-8-12(22)21(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3,(H3,18,19,20)
InChIKeyXBVLDCPAYKWANU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.13
Rot. Bonds8

About 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111819652) has the molecular formula C14H27F3N4O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111819652
Molecular FormulaC14H27F3N4O
Molecular Weight324.39 g/mol
Exact Mass324.21
IUPAC Name2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N4O/c1-10(2)6-5-7-11(3)20-13(18)19-8-12(22)21(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3,(H3,18,19,20)
InChIKeyXBVLDCPAYKWANU-UHFFFAOYSA-N
XLogP2.13
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.13
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'}

Analyze 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 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 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111819652) is 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CCCC(C)N/C(N)=N/CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XBVLDCPAYKWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4O/c1-10(2)6-5-7-11(3)20-13(18)19-8-12(22)21(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3,(H3,18,19,20).
What are the key properties of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111819652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).