5,5,7-trimethyl-1,4-diazepane

C8H18N2 — CID 6396092

IUPAC5,5,7-trimethyl-1,4-diazepane
SMILESCC1CC(C)(C)NCCN1
InChIInChI=1S/C8H18N2/c1-7-6-8(2,3)10-5-4-9-7/h7,9-10H,4-6H2,1-3H3
InChIKeyHJTAHWRHJPFFTK-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds

About 5,5,7-trimethyl-1,4-diazepane

5,5,7-trimethyl-1,4-diazepane (PubChem CID 6396092) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 5,5,7-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name5,5,7-trimethyl-1,4-diazepane
PubChem CID6396092
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name5,5,7-trimethyl-1,4-diazepane
SMILESCC1CC(C)(C)NCCN1
InChIInChI=1S/C8H18N2/c1-7-6-8(2,3)10-5-4-9-7/h7,9-10H,4-6H2,1-3H3
InChIKeyHJTAHWRHJPFFTK-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-1,4-diazepane?
The IUPAC name of 5,5,7-trimethyl-1,4-diazepane (CID 6396092) is 5,5,7-trimethyl-1,4-diazepane.
What is the SMILES notation for 5,5,7-trimethyl-1,4-diazepane?
The canonical SMILES for 5,5,7-trimethyl-1,4-diazepane is CC1CC(C)(C)NCCN1.
What is the InChIKey of 5,5,7-trimethyl-1,4-diazepane?
The InChIKey is HJTAHWRHJPFFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7-6-8(2,3)10-5-4-9-7/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 5,5,7-trimethyl-1,4-diazepane?
5,5,7-trimethyl-1,4-diazepane has a molecular weight of 142.25 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-1,4-diazepane is sourced from PubChem (CID 6396092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).