N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide

C20H34N2 — CID 134511698

IUPACN-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide
SMILESC=CN/C(C)=N/C=C\C(C)=C(\C=C)C(CC)CCCCCC
InChIInChI=1S/C20H34N2/c1-7-11-12-13-14-19(8-2)20(9-3)17(5)15-16-22-18(6)21-10-4/h9-10,15-16,19H,3-4,7-8,11-14H2,1-2,5-6H3,(H,21,22)/b16-15-,20-17-
InChIKeyRKKMQSMSGKWVJM-WFLLNITGSA-N
MW302.51 g/mol
LogP6.15
Rot. Bonds11

About N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide

N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide (PubChem CID 134511698) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide
PubChem CID134511698
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide
SMILESC=CN/C(C)=N/C=C\C(C)=C(\C=C)C(CC)CCCCCC
InChIInChI=1S/C20H34N2/c1-7-11-12-13-14-19(8-2)20(9-3)17(5)15-16-22-18(6)21-10-4/h9-10,15-16,19H,3-4,7-8,11-14H2,1-2,5-6H3,(H,21,22)/b16-15-,20-17-
InChIKeyRKKMQSMSGKWVJM-WFLLNITGSA-N
XLogP6.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide?
The IUPAC name of N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide (CID 134511698) is N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide?
The canonical SMILES for N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide is C=CN/C(C)=N/C=C\C(C)=C(\C=C)C(CC)CCCCCC.
What is the InChIKey of N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide?
The InChIKey is RKKMQSMSGKWVJM-WFLLNITGSA-N. The full InChI is InChI=1S/C20H34N2/c1-7-11-12-13-14-19(8-2)20(9-3)17(5)15-16-22-18(6)21-10-4/h9-10,15-16,19H,3-4,7-8,11-14H2,1-2,5-6H3,(H,21,22)/b16-15-,20-17-.
What are the key properties of N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide?
N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide has a molecular weight of 302.51 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-[(1Z,3Z)-4-ethenyl-5-ethyl-3-methylundeca-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 134511698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).