(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine

C14H21N — CID 14004189

IUPAC(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
SMILESCC1=CC=CC2CN(C)CCCC/C=C/12
InChIInChI=1S/C14H21N/c1-12-7-6-8-13-11-15(2)10-5-3-4-9-14(12)13/h6-9,13H,3-5,10-11H2,1-2H3/b14-9-
InChIKeyMVAPTOUZYNGQPD-ZROIWOOFSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds

About (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine

(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine (PubChem CID 14004189) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine.

Molecular Properties

Compound Name(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
PubChem CID14004189
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
SMILESCC1=CC=CC2CN(C)CCCC/C=C/12
InChIInChI=1S/C14H21N/c1-12-7-6-8-13-11-15(2)10-5-3-4-9-14(12)13/h6-9,13H,3-5,10-11H2,1-2H3/b14-9-
InChIKeyMVAPTOUZYNGQPD-ZROIWOOFSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine 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 (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The IUPAC name of (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine (CID 14004189) is (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine.
What is the SMILES notation for (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The canonical SMILES for (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine is CC1=CC=CC2CN(C)CCCC/C=C/12.
What is the InChIKey of (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
The InChIKey is MVAPTOUZYNGQPD-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H21N/c1-12-7-6-8-13-11-15(2)10-5-3-4-9-14(12)13/h6-9,13H,3-5,10-11H2,1-2H3/b14-9-.
What are the key properties of (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine?
(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine is sourced from PubChem (CID 14004189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).