5,5-dimethyl-1,4-diazepane

C7H16N2 — CID 23090559

IUPAC5,5-dimethyl-1,4-diazepane
SMILESCC1(C)CCNCCN1
InChIInChI=1S/C7H16N2/c1-7(2)3-4-8-5-6-9-7/h8-9H,3-6H2,1-2H3
InChIKeyOYVSGAZEJPPHPB-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds

About 5,5-dimethyl-1,4-diazepane

5,5-dimethyl-1,4-diazepane (PubChem CID 23090559) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 5,5-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name5,5-dimethyl-1,4-diazepane
PubChem CID23090559
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name5,5-dimethyl-1,4-diazepane
SMILESCC1(C)CCNCCN1
InChIInChI=1S/C7H16N2/c1-7(2)3-4-8-5-6-9-7/h8-9H,3-6H2,1-2H3
InChIKeyOYVSGAZEJPPHPB-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4-diazepane?
The IUPAC name of 5,5-dimethyl-1,4-diazepane (CID 23090559) is 5,5-dimethyl-1,4-diazepane.
What is the SMILES notation for 5,5-dimethyl-1,4-diazepane?
The canonical SMILES for 5,5-dimethyl-1,4-diazepane is CC1(C)CCNCCN1.
What is the InChIKey of 5,5-dimethyl-1,4-diazepane?
The InChIKey is OYVSGAZEJPPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)3-4-8-5-6-9-7/h8-9H,3-6H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,4-diazepane?
5,5-dimethyl-1,4-diazepane has a molecular weight of 128.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4-diazepane is sourced from PubChem (CID 23090559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).