(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide

C17H28N2 — CID 129163610

IUPAC(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C=C)=C/C=C(\C=C)C(C)(CCC)CCC
InChIInChI=1S/C17H28N2/c1-6-12-17(5,13-7-2)15(9-4)11-10-14(8-3)16(18)19/h8-11H,3-4,6-7,12-13H2,1-2,5H3,(H3,18,19)/b14-10+,15-11+
InChIKeyMNPXVWJCIKVDKT-WFYKWJGLSA-N
MW260.43 g/mol
LogP4.75
Rot. Bonds9

About (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide

(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide (PubChem CID 129163610) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide
PubChem CID129163610
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C=C)=C/C=C(\C=C)C(C)(CCC)CCC
InChIInChI=1S/C17H28N2/c1-6-12-17(5,13-7-2)15(9-4)11-10-14(8-3)16(18)19/h8-11H,3-4,6-7,12-13H2,1-2,5H3,(H3,18,19)/b14-10+,15-11+
InChIKeyMNPXVWJCIKVDKT-WFYKWJGLSA-N
XLogP4.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide?
The IUPAC name of (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide (CID 129163610) is (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide is [H]/N=C(N)/C(C=C)=C/C=C(\C=C)C(C)(CCC)CCC.
What is the InChIKey of (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide?
The InChIKey is MNPXVWJCIKVDKT-WFYKWJGLSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-12-17(5,13-7-2)15(9-4)11-10-14(8-3)16(18)19/h8-11H,3-4,6-7,12-13H2,1-2,5H3,(H3,18,19)/b14-10+,15-11+.
What are the key properties of (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide?
(2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide has a molecular weight of 260.43 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,5-bis(ethenyl)-6-methyl-6-propylnona-2,4-dienimidamide is sourced from PubChem (CID 129163610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).