2,5,5-trimethyl-1,3-diazepine

C8H12N2 — CID 123614796

IUPAC2,5,5-trimethyl-1,3-diazepine
SMILESCC1=NC=CC(C)(C)C=N1
InChIInChI=1S/C8H12N2/c1-7-9-5-4-8(2,3)6-10-7/h4-6H,1-3H3
InChIKeyMLOIVCSOTXDZBQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.03
Rot. Bonds

About 2,5,5-trimethyl-1,3-diazepine

2,5,5-trimethyl-1,3-diazepine (PubChem CID 123614796) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,5,5-trimethyl-1,3-diazepine.

Molecular Properties

Compound Name2,5,5-trimethyl-1,3-diazepine
PubChem CID123614796
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,5,5-trimethyl-1,3-diazepine
SMILESCC1=NC=CC(C)(C)C=N1
InChIInChI=1S/C8H12N2/c1-7-9-5-4-8(2,3)6-10-7/h4-6H,1-3H3
InChIKeyMLOIVCSOTXDZBQ-UHFFFAOYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-5-(trifluoromethyl)-1,3-diazepine
CID 142253947
5-Ethyl-5-methyl-1,3-diazepine
CID 68363216
N'-ethenyl-N-ethylidene-2,2-dimethylpropanimidamide
CID 88949136
5,5-Dimethyl-1,3-diazepine
CID 89049693
2,5-Ditert-butyl-5-methyl-1,3-diazepine
CID 90949983
2-Chloro-5,5-dimethyl-1,3-diazepine
CID 123165665
N-(2,2-dimethylbut-3-enylidene)-N'-methylmethanimidamide
CID 123342325
5,5-Dimethyl-1,3-diazepin-2-amine
CID 123556057
N'-(3,3-dimethylbut-1-enyl)-N-methylidenemethanimidamide
CID 123751931
2-methyl-5H-1,3-diazepine
CID 123843433
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
N'-ethenyl-2,2-dimethyl-N-prop-2-enylidenepropanimidamide
CID 126693281

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1,3-diazepine?
The IUPAC name of 2,5,5-trimethyl-1,3-diazepine (CID 123614796) is 2,5,5-trimethyl-1,3-diazepine.
What is the SMILES notation for 2,5,5-trimethyl-1,3-diazepine?
The canonical SMILES for 2,5,5-trimethyl-1,3-diazepine is CC1=NC=CC(C)(C)C=N1.
What is the InChIKey of 2,5,5-trimethyl-1,3-diazepine?
The InChIKey is MLOIVCSOTXDZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-9-5-4-8(2,3)6-10-7/h4-6H,1-3H3.
What are the key properties of 2,5,5-trimethyl-1,3-diazepine?
2,5,5-trimethyl-1,3-diazepine has a molecular weight of 136.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1,3-diazepine is sourced from PubChem (CID 123614796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).