7,7-dimethylimidazo[1,2-a]azepine;ethane

C14H24N2 — CID 153378976

IUPAC7,7-dimethylimidazo[1,2-a]azepine;ethane
SMILESCC.CC.CC1(C)C=Cc2nccn2C=C1
InChIInChI=1S/C10H12N2.2C2H6/c1-10(2)4-3-9-11-6-8-12(9)7-5-10;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyYUBYUOZDWJYWBY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds

About 7,7-dimethylimidazo[1,2-a]azepine;ethane

7,7-dimethylimidazo[1,2-a]azepine;ethane (PubChem CID 153378976) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 7,7-dimethylimidazo[1,2-a]azepine;ethane.

Molecular Properties

Compound Name7,7-dimethylimidazo[1,2-a]azepine;ethane
PubChem CID153378976
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name7,7-dimethylimidazo[1,2-a]azepine;ethane
SMILESCC.CC.CC1(C)C=Cc2nccn2C=C1
InChIInChI=1S/C10H12N2.2C2H6/c1-10(2)4-3-9-11-6-8-12(9)7-5-10;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyYUBYUOZDWJYWBY-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylimidazo[1,2-a]azepine;ethane?
The IUPAC name of 7,7-dimethylimidazo[1,2-a]azepine;ethane (CID 153378976) is 7,7-dimethylimidazo[1,2-a]azepine;ethane.
What is the SMILES notation for 7,7-dimethylimidazo[1,2-a]azepine;ethane?
The canonical SMILES for 7,7-dimethylimidazo[1,2-a]azepine;ethane is CC.CC.CC1(C)C=Cc2nccn2C=C1.
What is the InChIKey of 7,7-dimethylimidazo[1,2-a]azepine;ethane?
The InChIKey is YUBYUOZDWJYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-10(2)4-3-9-11-6-8-12(9)7-5-10;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of 7,7-dimethylimidazo[1,2-a]azepine;ethane?
7,7-dimethylimidazo[1,2-a]azepine;ethane has a molecular weight of 220.36 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylimidazo[1,2-a]azepine;ethane is sourced from PubChem (CID 153378976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).