1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine

C15H27N3 — CID 163296340

IUPAC1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine
SMILESCCC/C=C/C=C/CCCN1CCN(C)/C1=N\C
InChIInChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-11-12-18-14-13-17(3)15(18)16-2/h6-9H,4-5,10-14H2,1-3H3/b7-6+,9-8+,16-15+
InChIKeyNBSDKHQEVZTVQL-XZSGUGTGSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds7

About 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine

1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine (PubChem CID 163296340) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine.

Molecular Properties

Compound Name1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine
PubChem CID163296340
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine
SMILESCCC/C=C/C=C/CCCN1CCN(C)/C1=N\C
InChIInChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-11-12-18-14-13-17(3)15(18)16-2/h6-9H,4-5,10-14H2,1-3H3/b7-6+,9-8+,16-15+
InChIKeyNBSDKHQEVZTVQL-XZSGUGTGSA-N
XLogP2.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine 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 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine?
The IUPAC name of 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine (CID 163296340) is 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine.
What is the SMILES notation for 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine?
The canonical SMILES for 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine is CCC/C=C/C=C/CCCN1CCN(C)/C1=N\C.
What is the InChIKey of 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine?
The InChIKey is NBSDKHQEVZTVQL-XZSGUGTGSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-5-6-7-8-9-10-11-12-18-14-13-17(3)15(18)16-2/h6-9H,4-5,10-14H2,1-3H3/b7-6+,9-8+,16-15+.
What are the key properties of 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine?
1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine has a molecular weight of 249.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6E)-deca-4,6-dienyl]-N,3-dimethylimidazolidin-2-imine is sourced from PubChem (CID 163296340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).