5,6-di(propan-2-ylidene)-1,4-diazepane

C11H20N2 — CID 90244237

IUPAC5,6-di(propan-2-ylidene)-1,4-diazepane
SMILESCC(C)=C1CNCCNC1=C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h12-13H,5-7H2,1-4H3
InChIKeyOAILRTFXFKEQPI-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.81
Rot. Bonds

About 5,6-di(propan-2-ylidene)-1,4-diazepane

5,6-di(propan-2-ylidene)-1,4-diazepane (PubChem CID 90244237) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5,6-di(propan-2-ylidene)-1,4-diazepane.

Molecular Properties

Compound Name5,6-di(propan-2-ylidene)-1,4-diazepane
PubChem CID90244237
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5,6-di(propan-2-ylidene)-1,4-diazepane
SMILESCC(C)=C1CNCCNC1=C(C)C
InChIInChI=1S/C11H20N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h12-13H,5-7H2,1-4H3
InChIKeyOAILRTFXFKEQPI-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-ylidene)-1,4-diazepane?
The IUPAC name of 5,6-di(propan-2-ylidene)-1,4-diazepane (CID 90244237) is 5,6-di(propan-2-ylidene)-1,4-diazepane.
What is the SMILES notation for 5,6-di(propan-2-ylidene)-1,4-diazepane?
The canonical SMILES for 5,6-di(propan-2-ylidene)-1,4-diazepane is CC(C)=C1CNCCNC1=C(C)C.
What is the InChIKey of 5,6-di(propan-2-ylidene)-1,4-diazepane?
The InChIKey is OAILRTFXFKEQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h12-13H,5-7H2,1-4H3.
What are the key properties of 5,6-di(propan-2-ylidene)-1,4-diazepane?
5,6-di(propan-2-ylidene)-1,4-diazepane has a molecular weight of 180.29 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-ylidene)-1,4-diazepane is sourced from PubChem (CID 90244237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).