(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide

C16H22N2 — CID 134450662

IUPAC(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide
SMILESC=C/N=C(NC=C)/C(C=C)=C/C=C(\C=C)C(C)C
InChIInChI=1S/C16H22N2/c1-7-14(13(5)6)11-12-15(8-2)16(17-9-3)18-10-4/h7-13H,1-4H2,5-6H3,(H,17,18)/b14-11+,15-12+
InChIKeyUXBMUIWMXPFDSP-LCPPQYOVSA-N
MW242.37 g/mol
LogP4.14
Rot. Bonds7

About (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide

(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide (PubChem CID 134450662) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide
PubChem CID134450662
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide
SMILESC=C/N=C(NC=C)/C(C=C)=C/C=C(\C=C)C(C)C
InChIInChI=1S/C16H22N2/c1-7-14(13(5)6)11-12-15(8-2)16(17-9-3)18-10-4/h7-13H,1-4H2,5-6H3,(H,17,18)/b14-11+,15-12+
InChIKeyUXBMUIWMXPFDSP-LCPPQYOVSA-N
XLogP4.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide?
The IUPAC name of (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide (CID 134450662) is (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide is C=C/N=C(NC=C)/C(C=C)=C/C=C(\C=C)C(C)C.
What is the InChIKey of (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide?
The InChIKey is UXBMUIWMXPFDSP-LCPPQYOVSA-N. The full InChI is InChI=1S/C16H22N2/c1-7-14(13(5)6)11-12-15(8-2)16(17-9-3)18-10-4/h7-13H,1-4H2,5-6H3,(H,17,18)/b14-11+,15-12+.
What are the key properties of (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide?
(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide has a molecular weight of 242.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide is sourced from PubChem (CID 134450662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).