ethane;2,6,6-trimethyl-1,4-diazepine

C10H18N2 — CID 142544824

IUPACethane;2,6,6-trimethyl-1,4-diazepine
SMILESCC.CC1=CN=CC(C)(C)C=N1
InChIInChI=1S/C8H12N2.C2H6/c1-7-4-9-5-8(2,3)6-10-7;1-2/h4-6H,1-3H3;1-2H3
InChIKeyNSTRZZZGGYHWQA-UHFFFAOYSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds

About ethane;2,6,6-trimethyl-1,4-diazepine

ethane;2,6,6-trimethyl-1,4-diazepine (PubChem CID 142544824) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;2,6,6-trimethyl-1,4-diazepine.

Molecular Properties

Compound Nameethane;2,6,6-trimethyl-1,4-diazepine
PubChem CID142544824
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;2,6,6-trimethyl-1,4-diazepine
SMILESCC.CC1=CN=CC(C)(C)C=N1
InChIInChI=1S/C8H12N2.C2H6/c1-7-4-9-5-8(2,3)6-10-7;1-2/h4-6H,1-3H3;1-2H3
InChIKeyNSTRZZZGGYHWQA-UHFFFAOYSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,6-tetramethylazepine
CID 163775369
3,3-difluoro-5-methylpyrrole
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3,3-dimethyl-1,5-benzodiazepine
CID 67559989
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
CID 143593388
4,4-dimethyl-6,7,8,9-tetrahydro-2-benzazepine
CID 139443729
CID 57431433
CID 57431433
6,6-dimethylpyrido[3,4-c]azepine
CID 142944786
2,2,7,7-tetramethyl-1,5-diazocine
CID 123428503
2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
CID 142619246
ethane;2,7,7-trimethylimidazo[1,2-a][1,3]diazepin-3-amine
CID 177143998
2,5-dimethyl-2-(1H-pyrazol-5-yl)-1,4-oxazine
CID 174719068
2,2-dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749

Frequently Asked Questions

What is the IUPAC name of ethane;2,6,6-trimethyl-1,4-diazepine?
The IUPAC name of ethane;2,6,6-trimethyl-1,4-diazepine (CID 142544824) is ethane;2,6,6-trimethyl-1,4-diazepine.
What is the SMILES notation for ethane;2,6,6-trimethyl-1,4-diazepine?
The canonical SMILES for ethane;2,6,6-trimethyl-1,4-diazepine is CC.CC1=CN=CC(C)(C)C=N1.
What is the InChIKey of ethane;2,6,6-trimethyl-1,4-diazepine?
The InChIKey is NSTRZZZGGYHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-7-4-9-5-8(2,3)6-10-7;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;2,6,6-trimethyl-1,4-diazepine?
ethane;2,6,6-trimethyl-1,4-diazepine has a molecular weight of 166.27 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,6,6-trimethyl-1,4-diazepine is sourced from PubChem (CID 142544824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).