6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine

C13H19N — CID 163872656

IUPAC6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
SMILESCc1ccc2c(c1)C(C)CCCNC2
InChIInChI=1S/C13H19N/c1-10-5-6-12-9-14-7-3-4-11(2)13(12)8-10/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyPMFADVOQBQARAO-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.98
Rot. Bonds

About 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine

6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine (PubChem CID 163872656) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine.

Molecular Properties

Compound Name6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
PubChem CID163872656
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
SMILESCc1ccc2c(c1)C(C)CCCNC2
InChIInChI=1S/C13H19N/c1-10-5-6-12-9-14-7-3-4-11(2)13(12)8-10/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyPMFADVOQBQARAO-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine?
The IUPAC name of 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine (CID 163872656) is 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine.
What is the SMILES notation for 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine?
The canonical SMILES for 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine is Cc1ccc2c(c1)C(C)CCCNC2.
What is the InChIKey of 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine?
The InChIKey is PMFADVOQBQARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-6-12-9-14-7-3-4-11(2)13(12)8-10/h5-6,8,11,14H,3-4,7,9H2,1-2H3.
What are the key properties of 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine?
6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine has a molecular weight of 189.30 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine is sourced from PubChem (CID 163872656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).