5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine

C8H16N2 — CID 15618157

IUPAC5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine
SMILESCC1=NCCNC(C)(C)C1
InChIInChI=1S/C8H16N2/c1-7-6-8(2,3)10-5-4-9-7/h10H,4-6H2,1-3H3
InChIKeyRGJJZLYGQGTTAZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.22
Rot. Bonds

About 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine

5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine (PubChem CID 15618157) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine.

Molecular Properties

Compound Name5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine
PubChem CID15618157
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine
SMILESCC1=NCCNC(C)(C)C1
InChIInChI=1S/C8H16N2/c1-7-6-8(2,3)10-5-4-9-7/h10H,4-6H2,1-3H3
InChIKeyRGJJZLYGQGTTAZ-UHFFFAOYSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine?
The IUPAC name of 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine (CID 15618157) is 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine.
What is the SMILES notation for 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine?
The canonical SMILES for 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine is CC1=NCCNC(C)(C)C1.
What is the InChIKey of 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine?
The InChIKey is RGJJZLYGQGTTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-6-8(2,3)10-5-4-9-7/h10H,4-6H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine?
5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine has a molecular weight of 140.23 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-1,2,3,6-tetrahydro-1,4-diazepine is sourced from PubChem (CID 15618157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).