(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane

C20H26N2 — CID 143131686

IUPAC(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane
SMILESCC.CC.CC1=c2\cccc\c2=N\C(C)=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2.2C2H6/c1-11-13-7-3-5-9-15(13)18-12(2)14-8-4-6-10-16(14)17-11;2*1-2/h3-10H,1-2H3;2*1-2H3/b13-11-,14-12-,17-11-,17-16-,18-12-,18-15-;;
InChIKeyMSHQBMIHRJDJRW-RWVSBMJFSA-N
MW294.44 g/mol
LogP2.95
Rot. Bonds

About (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane

(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane (PubChem CID 143131686) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane.

Molecular Properties

Compound Name(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane
PubChem CID143131686
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane
SMILESCC.CC.CC1=c2\cccc\c2=N\C(C)=c2\cccc\c2=N\1
InChIInChI=1S/C16H14N2.2C2H6/c1-11-13-7-3-5-9-15(13)18-12(2)14-8-4-6-10-16(14)17-11;2*1-2/h3-10H,1-2H3;2*1-2H3/b13-11-,14-12-,17-11-,17-16-,18-12-,18-15-;;
InChIKeyMSHQBMIHRJDJRW-RWVSBMJFSA-N
XLogP2.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z,12Z)-benzo[c][1,5]benzodiazocine
CID 15960347
2-Methylbenzazete
CID 123769494
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
Dibenzo[b,f][1,4]diazocine
CID 11969075
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
(1Z,11Z,13Z,15Z)-3,24-diazapentacyclo[14.8.0.02,11.04,9.018,23]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 134980390
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 134989464
CID 164683315
CID 164683315
3,9,15-Trimethyl-2,8,14-triazatetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 10689287
7,10-dihydro-6H-benzo[b][1]benzazepine
CID 22063027
1-N,2-N,4-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 53921814
(6Z,10aZ)-6,11-dimethylbenzo[c][1,6]benzodiazocine
CID 58612544

Frequently Asked Questions

What is the IUPAC name of (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane?
The IUPAC name of (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane (CID 143131686) is (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane.
What is the SMILES notation for (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane?
The canonical SMILES for (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane is CC.CC.CC1=c2\cccc\c2=N\C(C)=c2\cccc\c2=N\1.
What is the InChIKey of (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane?
The InChIKey is MSHQBMIHRJDJRW-RWVSBMJFSA-N. The full InChI is InChI=1S/C16H14N2.2C2H6/c1-11-13-7-3-5-9-15(13)18-12(2)14-8-4-6-10-16(14)17-11;2*1-2/h3-10H,1-2H3;2*1-2H3/b13-11-,14-12-,17-11-,17-16-,18-12-,18-15-;;.
What are the key properties of (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane?
(6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane has a molecular weight of 294.44 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12Z)-6,12-dimethylbenzo[c][1,5]benzodiazocine;ethane is sourced from PubChem (CID 143131686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).