N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine

C15H21N — CID 23274234

IUPACN-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
SMILESCNC12CCCCCC1Cc1ccccc12
InChIInChI=1S/C15H21N/c1-16-15-10-6-2-3-8-13(15)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,2-3,6,8,10-11H2,1H3
InChIKeyAIUSXHIDDUSEIA-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.24
Rot. Bonds1

About N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine

N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine (PubChem CID 23274234) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine.

Molecular Properties

Compound NameN-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
PubChem CID23274234
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine
SMILESCNC12CCCCCC1Cc1ccccc12
InChIInChI=1S/C15H21N/c1-16-15-10-6-2-3-8-13(15)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,2-3,6,8,10-11H2,1H3
InChIKeyAIUSXHIDDUSEIA-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine 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 N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The IUPAC name of N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine (CID 23274234) is N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine.
What is the SMILES notation for N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The canonical SMILES for N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine is CNC12CCCCCC1Cc1ccccc12.
What is the InChIKey of N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
The InChIKey is AIUSXHIDDUSEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-15-10-6-2-3-8-13(15)11-12-7-4-5-9-14(12)15/h4-5,7,9,13,16H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine?
N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine has a molecular weight of 215.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[a]azulen-4b-amine is sourced from PubChem (CID 23274234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).