2,30-dimethylhentriaconta-2,29-diene-6,26-diimine

C33H62N2 — CID 58149349

IUPAC2,30-dimethylhentriaconta-2,29-diene-6,26-diimine
SMILES[H]/N=C(\CCC=C(C)C)CCCCCCCCCCCCCCCCCCC/C(CCC=C(C)C)=N\[H]
InChIInChI=1S/C33H62N2/c1-30(2)24-22-28-32(34)26-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-27-33(35)29-23-25-31(3)4/h24-25,34-35H,5-23,26-29H2,1-4H3/b34-32-,35-33+
InChIKeyOVCQYBRWXCPUOM-KUPVJLDFSA-N
MW486.87 g/mol
LogP11.93
Rot. Bonds26

About 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine

2,30-dimethylhentriaconta-2,29-diene-6,26-diimine (PubChem CID 58149349) has the molecular formula C33H62N2 and a molecular weight of 486.87 g/mol. Its IUPAC name is 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine.

Molecular Properties

Compound Name2,30-dimethylhentriaconta-2,29-diene-6,26-diimine
PubChem CID58149349
Molecular FormulaC33H62N2
Molecular Weight486.87 g/mol
Exact Mass486.49
IUPAC Name2,30-dimethylhentriaconta-2,29-diene-6,26-diimine
SMILES[H]/N=C(\CCC=C(C)C)CCCCCCCCCCCCCCCCCCC/C(CCC=C(C)C)=N\[H]
InChIInChI=1S/C33H62N2/c1-30(2)24-22-28-32(34)26-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-27-33(35)29-23-25-31(3)4/h24-25,34-35H,5-23,26-29H2,1-4H3/b34-32-,35-33+
InChIKeyOVCQYBRWXCPUOM-KUPVJLDFSA-N
XLogP11.93
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.87
LogP ≤ 511.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
2-Butyl-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 18620279
(4Z)-4-methylcyclooct-4-en-1-imine
CID 59932861
2-Hexylcyclohexa-2,5-diene-1,4-diimine
CID 70145261
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
CID 88555340
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
(11Z,14Z)-icosa-11,14-dien-2-imine
CID 89077215
(6E)-2,6-dimethylocta-1,6-dien-3-imine
CID 89849288
8-Methylnon-7-en-2-imine
CID 90700434
3,4-Dimethylnonadec-4-en-2-imine
CID 90701374
6-Methyldec-6-en-2-imine
CID 90707905
9-Methylundec-9-en-3-imine
CID 90776587

Frequently Asked Questions

What is the IUPAC name of 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine?
The IUPAC name of 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine (CID 58149349) is 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine.
What is the SMILES notation for 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine?
The canonical SMILES for 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine is [H]/N=C(\CCC=C(C)C)CCCCCCCCCCCCCCCCCCC/C(CCC=C(C)C)=N\[H].
What is the InChIKey of 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine?
The InChIKey is OVCQYBRWXCPUOM-KUPVJLDFSA-N. The full InChI is InChI=1S/C33H62N2/c1-30(2)24-22-28-32(34)26-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-27-33(35)29-23-25-31(3)4/h24-25,34-35H,5-23,26-29H2,1-4H3/b34-32-,35-33+.
What are the key properties of 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine?
2,30-dimethylhentriaconta-2,29-diene-6,26-diimine has a molecular weight of 486.87 g/mol, XLogP of 11.93, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,30-dimethylhentriaconta-2,29-diene-6,26-diimine is sourced from PubChem (CID 58149349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).