2-but-1-enyldeca-2,4-dienimidamide

C14H24N2 — CID 154062063

IUPAC2-but-1-enyldeca-2,4-dienimidamide
SMILES[H]/N=C(\N)C(C=CCC)=CC=CCCCCC
InChIInChI=1S/C14H24N2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h6,9-12H,3-5,7-8H2,1-2H3,(H3,15,16)
InChIKeyALGYQNBPJVPKKM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.95
Rot. Bonds8

About 2-but-1-enyldeca-2,4-dienimidamide

2-but-1-enyldeca-2,4-dienimidamide (PubChem CID 154062063) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-but-1-enyldeca-2,4-dienimidamide.

Molecular Properties

Compound Name2-but-1-enyldeca-2,4-dienimidamide
PubChem CID154062063
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-but-1-enyldeca-2,4-dienimidamide
SMILES[H]/N=C(\N)C(C=CCC)=CC=CCCCCC
InChIInChI=1S/C14H24N2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h6,9-12H,3-5,7-8H2,1-2H3,(H3,15,16)
InChIKeyALGYQNBPJVPKKM-UHFFFAOYSA-N
XLogP3.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.95
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-but-1-enyldeca-2,4-dienimidamide 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-but-1-enyldeca-2,4-dienimidamide?
The IUPAC name of 2-but-1-enyldeca-2,4-dienimidamide (CID 154062063) is 2-but-1-enyldeca-2,4-dienimidamide.
What is the SMILES notation for 2-but-1-enyldeca-2,4-dienimidamide?
The canonical SMILES for 2-but-1-enyldeca-2,4-dienimidamide is [H]/N=C(\N)C(C=CCC)=CC=CCCCCC.
What is the InChIKey of 2-but-1-enyldeca-2,4-dienimidamide?
The InChIKey is ALGYQNBPJVPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h6,9-12H,3-5,7-8H2,1-2H3,(H3,15,16).
What are the key properties of 2-but-1-enyldeca-2,4-dienimidamide?
2-but-1-enyldeca-2,4-dienimidamide has a molecular weight of 220.36 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyldeca-2,4-dienimidamide is sourced from PubChem (CID 154062063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).