(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine

C12H20N2 — CID 58763032

IUPAC(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine
SMILESCC(C)/C1=N/C/C=C\C=C/N1C(C)C
InChIInChI=1S/C12H20N2/c1-10(2)12-13-8-6-5-7-9-14(12)11(3)4/h5-7,9-11H,8H2,1-4H3/b6-5-,9-7-,13-12-
InChIKeyNXFBONHTNOGRLW-IBOLHTPYSA-N
MW192.31 g/mol
LogP2.83
Rot. Bonds2

About (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine

(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine (PubChem CID 58763032) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine.

Molecular Properties

Compound Name(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine
PubChem CID58763032
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine
SMILESCC(C)/C1=N/C/C=C\C=C/N1C(C)C
InChIInChI=1S/C12H20N2/c1-10(2)12-13-8-6-5-7-9-14(12)11(3)4/h5-7,9-11H,8H2,1-4H3/b6-5-,9-7-,13-12-
InChIKeyNXFBONHTNOGRLW-IBOLHTPYSA-N
XLogP2.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine?
The IUPAC name of (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine (CID 58763032) is (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine.
What is the SMILES notation for (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine?
The canonical SMILES for (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine is CC(C)/C1=N/C/C=C\C=C/N1C(C)C.
What is the InChIKey of (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine?
The InChIKey is NXFBONHTNOGRLW-IBOLHTPYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)12-13-8-6-5-7-9-14(12)11(3)4/h5-7,9-11H,8H2,1-4H3/b6-5-,9-7-,13-12-.
What are the key properties of (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine?
(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine has a molecular weight of 192.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine is sourced from PubChem (CID 58763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).