1,5,5-trimethyl-2H-1,4-diazepine

C8H14N2 — CID 144544198

IUPAC1,5,5-trimethyl-2H-1,4-diazepine
SMILESCN1C=CC(C)(C)N=CC1
InChIInChI=1S/C8H14N2/c1-8(2)4-6-10(3)7-5-9-8/h4-6H,7H2,1-3H3
InChIKeyIJJBEIHMIXXIFR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds

About 1,5,5-trimethyl-2H-1,4-diazepine

1,5,5-trimethyl-2H-1,4-diazepine (PubChem CID 144544198) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,5,5-trimethyl-2H-1,4-diazepine.

Molecular Properties

Compound Name1,5,5-trimethyl-2H-1,4-diazepine
PubChem CID144544198
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,5,5-trimethyl-2H-1,4-diazepine
SMILESCN1C=CC(C)(C)N=CC1
InChIInChI=1S/C8H14N2/c1-8(2)4-6-10(3)7-5-9-8/h4-6H,7H2,1-3H3
InChIKeyIJJBEIHMIXXIFR-UHFFFAOYSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2H-1,4-diazepine?
The IUPAC name of 1,5,5-trimethyl-2H-1,4-diazepine (CID 144544198) is 1,5,5-trimethyl-2H-1,4-diazepine.
What is the SMILES notation for 1,5,5-trimethyl-2H-1,4-diazepine?
The canonical SMILES for 1,5,5-trimethyl-2H-1,4-diazepine is CN1C=CC(C)(C)N=CC1.
What is the InChIKey of 1,5,5-trimethyl-2H-1,4-diazepine?
The InChIKey is IJJBEIHMIXXIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)4-6-10(3)7-5-9-8/h4-6H,7H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-2H-1,4-diazepine?
1,5,5-trimethyl-2H-1,4-diazepine has a molecular weight of 138.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2H-1,4-diazepine is sourced from PubChem (CID 144544198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).