1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine

C9H16N2 — CID 123863290

IUPAC1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine
SMILESCC1C=CN(C)/C=N\CC1C
InChIInChI=1S/C9H16N2/c1-8-4-5-11(3)7-10-6-9(8)2/h4-5,7-9H,6H2,1-3H3/b5-4?,10-7-
InChIKeyCJRMGKNJQFVWDV-DSLHYOASSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds

About 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine

1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine (PubChem CID 123863290) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine.

Molecular Properties

Compound Name1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine
PubChem CID123863290
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine
SMILESCC1C=CN(C)/C=N\CC1C
InChIInChI=1S/C9H16N2/c1-8-4-5-11(3)7-10-6-9(8)2/h4-5,7-9H,6H2,1-3H3/b5-4?,10-7-
InChIKeyCJRMGKNJQFVWDV-DSLHYOASSA-N
XLogP1.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide
CID 123593836
(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
CID 130445132
N,N-dimethyl-N'-[(Z)-3-methylbut-1-enyl]methanimidamide
CID 138496416
N,N'-dimethyl-N-[(Z)-3-methylbut-1-enyl]methanimidamide
CID 142808669
N,N-dimethyl-N'-[(E)-pent-1-enyl]methanimidamide
CID 156358302
N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine
CID 142492022
1-(4-Methylpent-1-enyl)-4,5-dihydroimidazole
CID 164767495

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine?
The IUPAC name of 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine (CID 123863290) is 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine.
What is the SMILES notation for 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine?
The canonical SMILES for 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine is CC1C=CN(C)/C=N\CC1C.
What is the InChIKey of 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine?
The InChIKey is CJRMGKNJQFVWDV-DSLHYOASSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-4-5-11(3)7-10-6-9(8)2/h4-5,7-9H,6H2,1-3H3/b5-4?,10-7-.
What are the key properties of 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine?
1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine has a molecular weight of 152.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine is sourced from PubChem (CID 123863290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).