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

C34H54N2 — CID 20762106

IUPAC1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCCC(/C=C(\C)C1=CC=C(/C(C)=C/C(CCCCCC)=C(C)C)C(=N/C)/C1=N\C)=C(C)C
InChIInChI=1S/C34H54N2/c1-11-13-15-17-19-29(25(3)4)23-27(7)31-21-22-32(34(36-10)33(31)35-9)28(8)24-30(26(5)6)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3/b27-23+,28-24+,35-33-,36-34-
InChIKeyFNNNFFNIWJEQHY-ZAPBLNIGSA-N
MW490.82 g/mol
LogP10.50
Rot. Bonds14

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

1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine (PubChem CID 20762106) has the molecular formula C34H54N2 and a molecular weight of 490.82 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-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-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
PubChem CID20762106
Molecular FormulaC34H54N2
Molecular Weight490.82 g/mol
Exact Mass490.43
IUPAC Name1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCCC(/C=C(\C)C1=CC=C(/C(C)=C/C(CCCCCC)=C(C)C)C(=N/C)/C1=N\C)=C(C)C
InChIInChI=1S/C34H54N2/c1-11-13-15-17-19-29(25(3)4)23-27(7)31-21-22-32(34(36-10)33(31)35-9)28(8)24-30(26(5)6)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3/b27-23+,28-24+,35-33-,36-34-
InChIKeyFNNNFFNIWJEQHY-ZAPBLNIGSA-N
XLogP10.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 510.50
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-dimethyl-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-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine (CID 20762106) is 1-N,2-N-dimethyl-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-dimethyl-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-dimethyl-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=CC=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-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is FNNNFFNIWJEQHY-ZAPBLNIGSA-N. The full InChI is InChI=1S/C34H54N2/c1-11-13-15-17-19-29(25(3)4)23-27(7)31-21-22-32(34(36-10)33(31)35-9)28(8)24-30(26(5)6)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3/b27-23+,28-24+,35-33-,36-34-.
What are the key properties of 1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 490.82 g/mol, XLogP of 10.50, 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-dimethyl-3,6-bis[(E)-4-propan-2-ylidenedec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 20762106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).