5,6-di(propan-2-yl)-2H-1,4-diazepine

C11H18N2 — CID 58763146

IUPAC5,6-di(propan-2-yl)-2H-1,4-diazepine
SMILESCC(C)C1=C(C(C)C)N=CCN=C1
InChIInChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3
InChIKeyMBUIDMHMOCKWTC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.71
Rot. Bonds2

About 5,6-di(propan-2-yl)-2H-1,4-diazepine

5,6-di(propan-2-yl)-2H-1,4-diazepine (PubChem CID 58763146) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-2H-1,4-diazepine.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-2H-1,4-diazepine
PubChem CID58763146
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5,6-di(propan-2-yl)-2H-1,4-diazepine
SMILESCC(C)C1=C(C(C)C)N=CCN=C1
InChIInChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3
InChIKeyMBUIDMHMOCKWTC-UHFFFAOYSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The IUPAC name of 5,6-di(propan-2-yl)-2H-1,4-diazepine (CID 58763146) is 5,6-di(propan-2-yl)-2H-1,4-diazepine.
What is the SMILES notation for 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The canonical SMILES for 5,6-di(propan-2-yl)-2H-1,4-diazepine is CC(C)C1=C(C(C)C)N=CCN=C1.
What is the InChIKey of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
The InChIKey is MBUIDMHMOCKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)10-7-12-5-6-13-11(10)9(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-2H-1,4-diazepine?
5,6-di(propan-2-yl)-2H-1,4-diazepine has a molecular weight of 178.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-2H-1,4-diazepine is sourced from PubChem (CID 58763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).