1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine

C13H20N2 — CID 91574357

IUPAC1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine
SMILESC=C=C1C=CC(C)(C)C=NN1C(C)(C)C
InChIInChI=1S/C13H20N2/c1-7-11-8-9-13(5,6)10-14-15(11)12(2,3)4/h8-10H,1H2,2-6H3
InChIKeyLANFYLARDITXIE-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.34
Rot. Bonds

About 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine

1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine (PubChem CID 91574357) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine.

Molecular Properties

Compound Name1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine
PubChem CID91574357
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine
SMILESC=C=C1C=CC(C)(C)C=NN1C(C)(C)C
InChIInChI=1S/C13H20N2/c1-7-11-8-9-13(5,6)10-14-15(11)12(2,3)4/h8-10H,1H2,2-6H3
InChIKeyLANFYLARDITXIE-UHFFFAOYSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
Ethane;1,4,4-trimethyl-7-methylidenediazepine
CID 144005841
(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole
CID 155378107

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine?
The IUPAC name of 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine (CID 91574357) is 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine.
What is the SMILES notation for 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine?
The canonical SMILES for 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine is C=C=C1C=CC(C)(C)C=NN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine?
The InChIKey is LANFYLARDITXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-11-8-9-13(5,6)10-14-15(11)12(2,3)4/h8-10H,1H2,2-6H3.
What are the key properties of 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine?
1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine has a molecular weight of 204.32 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-ethenylidene-4,4-dimethyldiazepine is sourced from PubChem (CID 91574357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).