2-tert-butyl-6,6,7-trimethyl-1,4-diazepine

C12H20N2 — CID 142619246

IUPAC2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
SMILESCC1=NC(C(C)(C)C)=CN=CC1(C)C
InChIInChI=1S/C12H20N2/c1-9-12(5,6)8-13-7-10(14-9)11(2,3)4/h7-8H,1-6H3
InChIKeyHXQHXYFWUGQGFH-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.45
Rot. Bonds

About 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine

2-tert-butyl-6,6,7-trimethyl-1,4-diazepine (PubChem CID 142619246) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine.

Molecular Properties

Compound Name2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
PubChem CID142619246
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
SMILESCC1=NC(C(C)(C)C)=CN=CC1(C)C
InChIInChI=1S/C12H20N2/c1-9-12(5,6)8-13-7-10(14-9)11(2,3)4/h7-8H,1-6H3
InChIKeyHXQHXYFWUGQGFH-UHFFFAOYSA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,6-tetramethylazepine
CID 163775369
ethane;2,6,6-trimethyl-1,4-diazepine
CID 142544824
3,5-ditert-butyl-3-methylpyrazole
CID 174433666
2,2-dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
2-tert-butyl-1,4-diazacyclohepta-2,4,5,7-tetraene
CID 126684762
2-tert-butyl-6-methylidene-1H-pyrazine
CID 59212603
1,4-ditert-butyl-5,5-dimethylcyclopenta-1,3-diene
CID 158400827
4,4-dimethyl-6,7,8,9-tetrahydro-2-benzazepine
CID 139443729
3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine
CID 101192388
3-tert-butyl-2,6-dimethylpyridine
CID 58870278
N,N-dibutyl-4-tert-butyl-1,3-thiazol-2-amine
CID 15277853
2-tert-butylsulfanyl-6-methylpyridin-3-amine
CID 81133216

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine?
The IUPAC name of 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine (CID 142619246) is 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine.
What is the SMILES notation for 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine?
The canonical SMILES for 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine is CC1=NC(C(C)(C)C)=CN=CC1(C)C.
What is the InChIKey of 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine?
The InChIKey is HXQHXYFWUGQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-12(5,6)8-13-7-10(14-9)11(2,3)4/h7-8H,1-6H3.
What are the key properties of 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine?
2-tert-butyl-6,6,7-trimethyl-1,4-diazepine has a molecular weight of 192.31 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,6,7-trimethyl-1,4-diazepine is sourced from PubChem (CID 142619246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).