(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine

C13H22N2 — CID 153397882

IUPAC(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine
SMILESC/C=C1C(/C)=C(C(C)C)\C=N/CCN/1C
InChIInChI=1S/C13H22N2/c1-6-13-11(4)12(10(2)3)9-14-7-8-15(13)5/h6,9-10H,7-8H2,1-5H3/b12-11+,13-6-,14-9-
InChIKeyWYBCKKPCZOBGRZ-HQULAKIRSA-N
MW206.33 g/mol
LogP2.88
Rot. Bonds1

About (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine

(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine (PubChem CID 153397882) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine.

Molecular Properties

Compound Name(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine
PubChem CID153397882
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine
SMILESC/C=C1C(/C)=C(C(C)C)\C=N/CCN/1C
InChIInChI=1S/C13H22N2/c1-6-13-11(4)12(10(2)3)9-14-7-8-15(13)5/h6,9-10H,7-8H2,1-5H3/b12-11+,13-6-,14-9-
InChIKeyWYBCKKPCZOBGRZ-HQULAKIRSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine with MolForge

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Related Compounds

3-ethylidene-1,6-dimethyl-8,9-dihydro-2H-1,4-diazonine
CID 90994728
(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
CID 155208602
(Z)-4-cyclopropyl-N-methyl-2-[1-(4-methylpiperazin-1-yl)ethenyl]but-2-en-1-imine
CID 145292813

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine?
The IUPAC name of (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine (CID 153397882) is (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine.
What is the SMILES notation for (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine?
The canonical SMILES for (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine is C/C=C1C(/C)=C(C(C)C)\C=N/CCN/1C.
What is the InChIKey of (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine?
The InChIKey is WYBCKKPCZOBGRZ-HQULAKIRSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-13-11(4)12(10(2)3)9-14-7-8-15(13)5/h6,9-10H,7-8H2,1-5H3/b12-11+,13-6-,14-9-.
What are the key properties of (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine?
(6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine has a molecular weight of 206.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-8-ethylidene-1,7-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-diazocine is sourced from PubChem (CID 153397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).