(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine

C22H38N2 — CID 102291687

IUPAC(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine
SMILESCCCCC1=C/C(C(C)(C)C)=N\C(CCCC)=C/C(C(C)(C)C)=N\1
InChIInChI=1S/C22H38N2/c1-9-11-13-17-15-19(21(3,4)5)24-18(14-12-10-2)16-20(23-17)22(6,7)8/h15-16H,9-14H2,1-8H3/b17-15-,18-16-,19-15-,20-16-,23-17-,23-20+,24-18-,24-19+
InChIKeyYUGGJBIZCNNQFF-LXHHTPKTSA-N
MW330.56 g/mol
LogP7.12
Rot. Bonds6

About (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine

(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine (PubChem CID 102291687) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine.

Molecular Properties

Compound Name(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine
PubChem CID102291687
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine
SMILESCCCCC1=C/C(C(C)(C)C)=N\C(CCCC)=C/C(C(C)(C)C)=N\1
InChIInChI=1S/C22H38N2/c1-9-11-13-17-15-19(21(3,4)5)24-18(14-12-10-2)16-20(23-17)22(6,7)8/h15-16H,9-14H2,1-8H3/b17-15-,18-16-,19-15-,20-16-,23-17-,23-20+,24-18-,24-19+
InChIKeyYUGGJBIZCNNQFF-LXHHTPKTSA-N
XLogP7.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Di-tert-butyl-4,8-dimethyl-1,5-diazocine
CID 102291686
(Z)-N-(4,4-dimethylpent-1-en-2-yl)-6,6-dimethylhept-2-en-4-imine
CID 142361065
N-[(Z)-hex-2-en-3-yl]-3,3-dimethylbutan-2-imine
CID 155373883
3-methyl-N-[2-methyl-1-[(7Z)-8-propan-2-yl-5,6-dihydro-4H-diazocin-3-ylidene]propyl]butan-2-imine
CID 174011031

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine?
The IUPAC name of (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine (CID 102291687) is (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine.
What is the SMILES notation for (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine?
The canonical SMILES for (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine is CCCCC1=C/C(C(C)(C)C)=N\C(CCCC)=C/C(C(C)(C)C)=N\1.
What is the InChIKey of (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine?
The InChIKey is YUGGJBIZCNNQFF-LXHHTPKTSA-N. The full InChI is InChI=1S/C22H38N2/c1-9-11-13-17-15-19(21(3,4)5)24-18(14-12-10-2)16-20(23-17)22(6,7)8/h15-16H,9-14H2,1-8H3/b17-15-,18-16-,19-15-,20-16-,23-17-,23-20+,24-18-,24-19+.
What are the key properties of (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine?
(3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine has a molecular weight of 330.56 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-4,8-dibutyl-2,6-ditert-butyl-1,5-diazocine is sourced from PubChem (CID 102291687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).