2,6,7-trimethyl-1,4-diazepane

C8H18N2 — CID 134277914

IUPAC2,6,7-trimethyl-1,4-diazepane
SMILESCC1CNCC(C)C(C)N1
InChIInChI=1S/C8H18N2/c1-6-4-9-5-7(2)10-8(6)3/h6-10H,4-5H2,1-3H3
InChIKeyNAGWCCHIEXLKFW-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.59
Rot. Bonds

About 2,6,7-trimethyl-1,4-diazepane

2,6,7-trimethyl-1,4-diazepane (PubChem CID 134277914) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,6,7-trimethyl-1,4-diazepane.

Molecular Properties

Compound Name2,6,7-trimethyl-1,4-diazepane
PubChem CID134277914
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,6,7-trimethyl-1,4-diazepane
SMILESCC1CNCC(C)C(C)N1
InChIInChI=1S/C8H18N2/c1-6-4-9-5-7(2)10-8(6)3/h6-10H,4-5H2,1-3H3
InChIKeyNAGWCCHIEXLKFW-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-1,4-diazepane?
The IUPAC name of 2,6,7-trimethyl-1,4-diazepane (CID 134277914) is 2,6,7-trimethyl-1,4-diazepane.
What is the SMILES notation for 2,6,7-trimethyl-1,4-diazepane?
The canonical SMILES for 2,6,7-trimethyl-1,4-diazepane is CC1CNCC(C)C(C)N1.
What is the InChIKey of 2,6,7-trimethyl-1,4-diazepane?
The InChIKey is NAGWCCHIEXLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-4-9-5-7(2)10-8(6)3/h6-10H,4-5H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-1,4-diazepane?
2,6,7-trimethyl-1,4-diazepane has a molecular weight of 142.25 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-1,4-diazepane is sourced from PubChem (CID 134277914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).