1,2,6-trimethyl-2,5-dihydro-1,3-diazepine

C8H14N2 — CID 134566819

IUPAC1,2,6-trimethyl-2,5-dihydro-1,3-diazepine
SMILESCC1=CN(C)C(C)N=CC1
InChIInChI=1S/C8H14N2/c1-7-4-5-9-8(2)10(3)6-7/h5-6,8H,4H2,1-3H3
InChIKeyRFINDGAAKJJQGR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds

About 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine

1,2,6-trimethyl-2,5-dihydro-1,3-diazepine (PubChem CID 134566819) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine.

Molecular Properties

Compound Name1,2,6-trimethyl-2,5-dihydro-1,3-diazepine
PubChem CID134566819
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1,2,6-trimethyl-2,5-dihydro-1,3-diazepine
SMILESCC1=CN(C)C(C)N=CC1
InChIInChI=1S/C8H14N2/c1-7-4-5-9-8(2)10(3)6-7/h5-6,8H,4H2,1-3H3
InChIKeyRFINDGAAKJJQGR-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-ethyl-1-methyl-2H-pyrimidine
CID 91114344
6-methyl-5H-1,3-diazepine
CID 123768170
6-ethyl-2H-1,4-diazepine
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1,5-diethyl-2H-pyrimidine
CID 153896574
1-Methyl-6-propan-2-yl-4-aza-1-azoniacyclohepta-1,2,4,6-tetraene
CID 174195990
[(2E)-2-(dimethylaminomethylidene)butylidene]-dimethylazanium
CID 12220710
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CID 23423842

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine?
The IUPAC name of 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine (CID 134566819) is 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine.
What is the SMILES notation for 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine?
The canonical SMILES for 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine is CC1=CN(C)C(C)N=CC1.
What is the InChIKey of 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine?
The InChIKey is RFINDGAAKJJQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-4-5-9-8(2)10(3)6-7/h5-6,8H,4H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine?
1,2,6-trimethyl-2,5-dihydro-1,3-diazepine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-2,5-dihydro-1,3-diazepine is sourced from PubChem (CID 134566819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).