9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine

C13H23N3 — CID 123237286

IUPAC9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine
SMILESCCC1(C)CC(C)(C)CNCc2[nH]cnc21
InChIInChI=1S/C13H23N3/c1-5-13(4)7-12(2,3)8-14-6-10-11(13)16-9-15-10/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyXMLGZQOAKHSPBH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds1

About 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine

9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine (PubChem CID 123237286) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine.

Molecular Properties

Compound Name9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine
PubChem CID123237286
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine
SMILESCCC1(C)CC(C)(C)CNCc2[nH]cnc21
InChIInChI=1S/C13H23N3/c1-5-13(4)7-12(2,3)8-14-6-10-11(13)16-9-15-10/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyXMLGZQOAKHSPBH-UHFFFAOYSA-N
XLogP2.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine with MolForge

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Related Compounds

3',5',6',7'-Tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]
CID 12397494
4-(5-methyl-1H-imidazol-4-yl)piperidine dihydrochloride
CID 23084308
4,5-bis(2-methylpropyl)-1H-imidazole
CID 21321312
3',5',6',7'-Tetrahydrospiro[cyclobutane-1,4'-imidazo[4,5-c]pyridine]
CID 121553558
4-(4-Methyl-1H-imidazol-5-yl)piperidine
CID 10953883
5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole
CID 141201634
4-propan-2-yl-5-propyl-1H-imidazole
CID 134910178
4-ethyl-4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 50954289
3,3-difluoro-1-(4-methyl-1H-imidazol-5-yl)cyclobutan-1-amine
CID 165661320
[2,2-difluoro-1-(4-methyl-1H-imidazol-5-yl)cyclopropyl]methanamine
CID 165661355
1-[4,4-difluoro-1-(4-methyl-1H-imidazol-5-yl)cyclohexyl]methanamine
CID 165670283
4,4-difluoro-1-(4-methyl-1H-imidazol-5-yl)cyclohexan-1-amine
CID 165851168

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine?
The IUPAC name of 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine (CID 123237286) is 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine.
What is the SMILES notation for 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine?
The canonical SMILES for 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine is CCC1(C)CC(C)(C)CNCc2[nH]cnc21.
What is the InChIKey of 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine?
The InChIKey is XMLGZQOAKHSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-13(4)7-12(2,3)8-14-6-10-11(13)16-9-15-10/h9,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine?
9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7,7,9-trimethyl-4,5,6,8-tetrahydro-3H-imidazo[4,5-c]azocine is sourced from PubChem (CID 123237286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).