1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine

C36H58N2 — CID 59827492

IUPAC1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCCC(/C=C(\C)C1=C(C)C(C)=C(/C(C)=C/C(CCCCCC)=C(C)C)C(=N/C)/C1=N\C)=C(C)C
InChIInChI=1S/C36H58N2/c1-13-15-17-19-21-31(25(3)4)23-27(7)33-29(9)30(10)34(36(38-12)35(33)37-11)28(8)24-32(26(5)6)22-20-18-16-14-2/h23-24H,13-22H2,1-12H3/b27-23+,28-24+,37-35-,38-36-
InChIKeyBOQGLQKEYNPHAS-DZTDNXMQSA-N
MW518.87 g/mol
LogP11.28
Rot. Bonds14

About 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine

1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine (PubChem CID 59827492) has the molecular formula C36H58N2 and a molecular weight of 518.87 g/mol. Its IUPAC name is 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
PubChem CID59827492
Molecular FormulaC36H58N2
Molecular Weight518.87 g/mol
Exact Mass518.46
IUPAC Name1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCCC(/C=C(\C)C1=C(C)C(C)=C(/C(C)=C/C(CCCCCC)=C(C)C)C(=N/C)/C1=N\C)=C(C)C
InChIInChI=1S/C36H58N2/c1-13-15-17-19-21-31(25(3)4)23-27(7)33-29(9)30(10)34(36(38-12)35(33)37-11)28(8)24-32(26(5)6)22-20-18-16-14-2/h23-24H,13-22H2,1-12H3/b27-23+,28-24+,37-35-,38-36-
InChIKeyBOQGLQKEYNPHAS-DZTDNXMQSA-N
XLogP11.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.87
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine (CID 59827492) is 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine is CCCCCCC(/C=C(\C)C1=C(C)C(C)=C(/C(C)=C/C(CCCCCC)=C(C)C)C(=N/C)/C1=N\C)=C(C)C.
What is the InChIKey of 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is BOQGLQKEYNPHAS-DZTDNXMQSA-N. The full InChI is InChI=1S/C36H58N2/c1-13-15-17-19-21-31(25(3)4)23-27(7)33-29(9)30(10)34(36(38-12)35(33)37-11)28(8)24-32(26(5)6)22-20-18-16-14-2/h23-24H,13-22H2,1-12H3/b27-23+,28-24+,37-35-,38-36-.
What are the key properties of 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 518.87 g/mol, XLogP of 11.28, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,4,5-tetramethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 59827492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).