ethane;4,4,7-trimethylazepine

C11H19N — CID 145323887

IUPACethane;4,4,7-trimethylazepine
SMILESCC.CC1=NC=CC(C)(C)C=C1
InChIInChI=1S/C9H13N.C2H6/c1-8-4-5-9(2,3)6-7-10-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeyYJOQMGBUAXOOIM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds

About ethane;4,4,7-trimethylazepine

ethane;4,4,7-trimethylazepine (PubChem CID 145323887) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;4,4,7-trimethylazepine.

Molecular Properties

Compound Nameethane;4,4,7-trimethylazepine
PubChem CID145323887
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;4,4,7-trimethylazepine
SMILESCC.CC1=NC=CC(C)(C)C=C1
InChIInChI=1S/C9H13N.C2H6/c1-8-4-5-9(2,3)6-7-10-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeyYJOQMGBUAXOOIM-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7,7-dimethylimidazo[1,2-a]azepine;ethane
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2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole
CID 71214120
2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
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2-methyl-1,5-diazocine
CID 76548114
6,6,14,14-tetramethyltricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene-2,10-dione
CID 142049970
ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine
CID 143881464
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
trimethyl-[(1E,4Z,7Z)-3,3,6,6-tetramethylcycloocta-1,4,7-trien-1-yl]silane
CID 5366639
6,6-dimethyl-1H-cyclohepta[d]imidazole;ethane
CID 142263994

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,7-trimethylazepine?
The IUPAC name of ethane;4,4,7-trimethylazepine (CID 145323887) is ethane;4,4,7-trimethylazepine.
What is the SMILES notation for ethane;4,4,7-trimethylazepine?
The canonical SMILES for ethane;4,4,7-trimethylazepine is CC.CC1=NC=CC(C)(C)C=C1.
What is the InChIKey of ethane;4,4,7-trimethylazepine?
The InChIKey is YJOQMGBUAXOOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-8-4-5-9(2,3)6-7-10-8;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;4,4,7-trimethylazepine?
ethane;4,4,7-trimethylazepine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,7-trimethylazepine is sourced from PubChem (CID 145323887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).