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

C16H26N2 — CID 102291686

IUPAC(3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine
SMILESCC1=C/C(C(C)(C)C)=N\C(C)=C/C(C(C)(C)C)=N\1
InChIInChI=1S/C16H26N2/c1-11-9-13(15(3,4)5)18-12(2)10-14(17-11)16(6,7)8/h9-10H,1-8H3/b11-9-,12-10-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+
InChIKeyMFOMJGFNOXQEHJ-HKMASHIGSA-N
MW246.40 g/mol
LogP4.78
Rot. Bonds

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

(3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine (PubChem CID 102291686) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine.

Molecular Properties

Compound Name(3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine
PubChem CID102291686
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine
SMILESCC1=C/C(C(C)(C)C)=N\C(C)=C/C(C(C)(C)C)=N\1
InChIInChI=1S/C16H26N2/c1-11-9-13(15(3,4)5)18-12(2)10-14(17-11)16(6,7)8/h9-10H,1-8H3/b11-9-,12-10-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+
InChIKeyMFOMJGFNOXQEHJ-HKMASHIGSA-N
XLogP4.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,5-Tetramethylpyrrole
CID 13734873
2,6-Di-tert-butyl-4,8-dibutyl-1,5-diazocine
CID 102291687
3H-Pyrrole, 2,3,3-trimethyl-5-(1-methylethyl)-
CID 5325602
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
CID 59782158
(Z)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 59782196
5-(2,2-dimethylpropyl)-2-methyl-3H-pyrrole
CID 68011810
N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine
CID 72560385
N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 72560394
(Z)-2,2,6,6-tetramethyl-5-prop-1-en-2-yliminohept-3-en-3-amine
CID 118188486
(Z)-2,2-dimethyl-N-prop-1-en-2-ylhex-4-en-3-imine
CID 129132722
(Z)-2,2-dimethyl-N-[(3E)-penta-1,3-dien-2-yl]hex-4-en-3-imine
CID 129256919

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine?
The IUPAC name of (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine (CID 102291686) is (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine.
What is the SMILES notation for (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine?
The canonical SMILES for (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine is CC1=C/C(C(C)(C)C)=N\C(C)=C/C(C(C)(C)C)=N\1.
What is the InChIKey of (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine?
The InChIKey is MFOMJGFNOXQEHJ-HKMASHIGSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-9-13(15(3,4)5)18-12(2)10-14(17-11)16(6,7)8/h9-10H,1-8H3/b11-9-,12-10-,13-9-,14-10-,17-11-,17-14+,18-12-,18-13+.
What are the key properties of (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine?
(3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine has a molecular weight of 246.40 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,6-ditert-butyl-4,8-dimethyl-1,5-diazocine is sourced from PubChem (CID 102291686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).