(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine

C9H14N2 — CID 159702614

IUPAC(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine
SMILESCC1=C/CC/C(C)=N/C(C)=N\1
InChIInChI=1S/C9H14N2/c1-7-5-4-6-8(2)11-9(3)10-7/h5H,4,6H2,1-3H3/b7-5-,10-9-,11-8-
InChIKeyFEOXRNKYIJMMNN-HFEMPGIASA-N
MW150.22 g/mol
LogP2.56
Rot. Bonds

About (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine

(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine (PubChem CID 159702614) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine
PubChem CID159702614
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine
SMILESCC1=C/CC/C(C)=N/C(C)=N\1
InChIInChI=1S/C9H14N2/c1-7-5-4-6-8(2)11-9(3)10-7/h5H,4,6H2,1-3H3/b7-5-,10-9-,11-8-
InChIKeyFEOXRNKYIJMMNN-HFEMPGIASA-N
XLogP2.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine?
The IUPAC name of (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine (CID 159702614) is (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine.
What is the SMILES notation for (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine?
The canonical SMILES for (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine is CC1=C/CC/C(C)=N/C(C)=N\1.
What is the InChIKey of (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine?
The InChIKey is FEOXRNKYIJMMNN-HFEMPGIASA-N. The full InChI is InChI=1S/C9H14N2/c1-7-5-4-6-8(2)11-9(3)10-7/h5H,4,6H2,1-3H3/b7-5-,10-9-,11-8-.
What are the key properties of (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine?
(7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine has a molecular weight of 150.22 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,4,8-trimethyl-5,6-dihydro-1,3-diazocine is sourced from PubChem (CID 159702614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).