3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine

C13H21N — CID 90771096

IUPAC3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine
SMILESCCC1=C(C)/N=C(/C)C(C)=CCCC1
InChIInChI=1S/C13H21N/c1-5-13-9-7-6-8-10(2)11(3)14-12(13)4/h8H,5-7,9H2,1-4H3/b10-8?,13-12?,14-11-
InChIKeyYDBZZZIREZIOIX-CIMDKVEPSA-N
MW191.32 g/mol
LogP4.26
Rot. Bonds1

About 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine

3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine (PubChem CID 90771096) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine.

Molecular Properties

Compound Name3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine
PubChem CID90771096
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine
SMILESCCC1=C(C)/N=C(/C)C(C)=CCCC1
InChIInChI=1S/C13H21N/c1-5-13-9-7-6-8-10(2)11(3)14-12(13)4/h8H,5-7,9H2,1-4H3/b10-8?,13-12?,14-11-
InChIKeyYDBZZZIREZIOIX-CIMDKVEPSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine?
The IUPAC name of 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine (CID 90771096) is 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine.
What is the SMILES notation for 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine?
The canonical SMILES for 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine is CCC1=C(C)/N=C(/C)C(C)=CCCC1.
What is the InChIKey of 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine?
The InChIKey is YDBZZZIREZIOIX-CIMDKVEPSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13-9-7-6-8-10(2)11(3)14-12(13)4/h8H,5-7,9H2,1-4H3/b10-8?,13-12?,14-11-.
What are the key properties of 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine?
3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine has a molecular weight of 191.32 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine is sourced from PubChem (CID 90771096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).