3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide

C19H36N2 — CID 123909804

IUPAC3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide
SMILES[H]/N=C(/C(CC)=C(C=C(C)C(C)CC)CCCC)N(C)CC
InChIInChI=1S/C19H36N2/c1-8-12-13-17(14-16(6)15(5)9-2)18(10-3)19(20)21(7)11-4/h14-15,20H,8-13H2,1-7H3/b16-14?,18-17?,20-19-
InChIKeyQPEHJGIQEBZUPU-ABBDUEAISA-N
MW292.51 g/mol
LogP5.80
Rot. Bonds9

About 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide

3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide (PubChem CID 123909804) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide.

Molecular Properties

Compound Name3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide
PubChem CID123909804
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide
SMILES[H]/N=C(/C(CC)=C(C=C(C)C(C)CC)CCCC)N(C)CC
InChIInChI=1S/C19H36N2/c1-8-12-13-17(14-16(6)15(5)9-2)18(10-3)19(20)21(7)11-4/h14-15,20H,8-13H2,1-7H3/b16-14?,18-17?,20-19-
InChIKeyQPEHJGIQEBZUPU-ABBDUEAISA-N
XLogP5.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3-Butan-2-yl-2-methylhepta-2,4-dienimidoyl)-trimethylazanium
CID 123329057
N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
CID 146614260

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide?
The IUPAC name of 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide (CID 123909804) is 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide.
What is the SMILES notation for 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide?
The canonical SMILES for 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide is [H]/N=C(/C(CC)=C(C=C(C)C(C)CC)CCCC)N(C)CC.
What is the InChIKey of 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide?
The InChIKey is QPEHJGIQEBZUPU-ABBDUEAISA-N. The full InChI is InChI=1S/C19H36N2/c1-8-12-13-17(14-16(6)15(5)9-2)18(10-3)19(20)21(7)11-4/h14-15,20H,8-13H2,1-7H3/b16-14?,18-17?,20-19-.
What are the key properties of 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide?
3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide has a molecular weight of 292.51 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,2-diethyl-N,5,6-trimethylocta-2,4-dienimidamide is sourced from PubChem (CID 123909804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).