ethane;3,5,5-trimethyldiazepine

C10H18N2 — CID 143912942

IUPACethane;3,5,5-trimethyldiazepine
SMILESCC.CC1=CC(C)(C)C=CN=N1
InChIInChI=1S/C8H12N2.C2H6/c1-7-6-8(2,3)4-5-9-10-7;1-2/h4-6H,1-3H3;1-2H3
InChIKeyQGXYPEDMYJBXER-UHFFFAOYSA-N
MW166.27 g/mol
LogP3.92
Rot. Bonds

About ethane;3,5,5-trimethyldiazepine

ethane;3,5,5-trimethyldiazepine (PubChem CID 143912942) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;3,5,5-trimethyldiazepine.

Molecular Properties

Compound Nameethane;3,5,5-trimethyldiazepine
PubChem CID143912942
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;3,5,5-trimethyldiazepine
SMILESCC.CC1=CC(C)(C)C=CN=N1
InChIInChI=1S/C8H12N2.C2H6/c1-7-6-8(2,3)4-5-9-10-7;1-2/h4-6H,1-3H3;1-2H3
InChIKeyQGXYPEDMYJBXER-UHFFFAOYSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3,5,5-trimethyldiazepine?
The IUPAC name of ethane;3,5,5-trimethyldiazepine (CID 143912942) is ethane;3,5,5-trimethyldiazepine.
What is the SMILES notation for ethane;3,5,5-trimethyldiazepine?
The canonical SMILES for ethane;3,5,5-trimethyldiazepine is CC.CC1=CC(C)(C)C=CN=N1.
What is the InChIKey of ethane;3,5,5-trimethyldiazepine?
The InChIKey is QGXYPEDMYJBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-7-6-8(2,3)4-5-9-10-7;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;3,5,5-trimethyldiazepine?
ethane;3,5,5-trimethyldiazepine has a molecular weight of 166.27 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,5-trimethyldiazepine is sourced from PubChem (CID 143912942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).