2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide

C13H26N4O — CID 109497647

IUPAC2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=CCCCN(C)/C(=N\CC(=O)N(C)C)NCC
InChIInChI=1S/C13H26N4O/c1-6-8-9-10-17(5)13(14-7-2)15-11-12(18)16(3)4/h6H,1,7-11H2,2-5H3,(H,14,15)
InChIKeyZXHVJJVKBWNFHZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.94
Rot. Bonds7

About 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 109497647) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID109497647
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=CCCCN(C)/C(=N\CC(=O)N(C)C)NCC
InChIInChI=1S/C13H26N4O/c1-6-8-9-10-17(5)13(14-7-2)15-11-12(18)16(3)4/h6H,1,7-11H2,2-5H3,(H,14,15)
InChIKeyZXHVJJVKBWNFHZ-UHFFFAOYSA-N
XLogP0.94
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide 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-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 109497647) is 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide is C=CCCCN(C)/C(=N\CC(=O)N(C)C)NCC.
What is the InChIKey of 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ZXHVJJVKBWNFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-8-9-10-17(5)13(14-7-2)15-11-12(18)16(3)4/h6H,1,7-11H2,2-5H3,(H,14,15).
What are the key properties of 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 254.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 109497647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).