2,3,6,7-tetramethyl-1,2,4-triazepane

C8H19N3 — CID 123452081

IUPAC2,3,6,7-tetramethyl-1,2,4-triazepane
SMILESCC1CNC(C)N(C)NC1C
InChIInChI=1S/C8H19N3/c1-6-5-9-8(3)11(4)10-7(6)2/h6-10H,5H2,1-4H3
InChIKeyAKOJLTCTYDYTDJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.40
Rot. Bonds

About 2,3,6,7-tetramethyl-1,2,4-triazepane

2,3,6,7-tetramethyl-1,2,4-triazepane (PubChem CID 123452081) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-1,2,4-triazepane.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-1,2,4-triazepane
PubChem CID123452081
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2,3,6,7-tetramethyl-1,2,4-triazepane
SMILESCC1CNC(C)N(C)NC1C
InChIInChI=1S/C8H19N3/c1-6-5-9-8(3)11(4)10-7(6)2/h6-10H,5H2,1-4H3
InChIKeyAKOJLTCTYDYTDJ-UHFFFAOYSA-N
XLogP0.40
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-1,2,4-triazepane?
The IUPAC name of 2,3,6,7-tetramethyl-1,2,4-triazepane (CID 123452081) is 2,3,6,7-tetramethyl-1,2,4-triazepane.
What is the SMILES notation for 2,3,6,7-tetramethyl-1,2,4-triazepane?
The canonical SMILES for 2,3,6,7-tetramethyl-1,2,4-triazepane is CC1CNC(C)N(C)NC1C.
What is the InChIKey of 2,3,6,7-tetramethyl-1,2,4-triazepane?
The InChIKey is AKOJLTCTYDYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-6-5-9-8(3)11(4)10-7(6)2/h6-10H,5H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-1,2,4-triazepane?
2,3,6,7-tetramethyl-1,2,4-triazepane has a molecular weight of 157.26 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-1,2,4-triazepane is sourced from PubChem (CID 123452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).