(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine

C11H16N2 — CID 67032397

IUPAC(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine
SMILESNC1CC/C=C\NC2C=CC=CC12
InChIInChI=1S/C11H16N2/c12-10-6-3-4-8-13-11-7-2-1-5-9(10)11/h1-2,4-5,7-11,13H,3,6,12H2/b8-4-
InChIKeyNQMNPMUSFFLLAE-YWEYNIOJSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds

About (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine

(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine (PubChem CID 67032397) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine.

Molecular Properties

Compound Name(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine
PubChem CID67032397
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine
SMILESNC1CC/C=C\NC2C=CC=CC12
InChIInChI=1S/C11H16N2/c12-10-6-3-4-8-13-11-7-2-1-5-9(10)11/h1-2,4-5,7-11,13H,3,6,12H2/b8-4-
InChIKeyNQMNPMUSFFLLAE-YWEYNIOJSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-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 (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine?
The IUPAC name of (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine (CID 67032397) is (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine.
What is the SMILES notation for (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine?
The canonical SMILES for (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine is NC1CC/C=C\NC2C=CC=CC12.
What is the InChIKey of (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine?
The InChIKey is NQMNPMUSFFLLAE-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H16N2/c12-10-6-3-4-8-13-11-7-2-1-5-9(10)11/h1-2,4-5,7-11,13H,3,6,12H2/b8-4-.
What are the key properties of (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine?
(2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine has a molecular weight of 176.26 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,4,5,6,6a,10a-hexahydro-1-benzazocin-6-amine is sourced from PubChem (CID 67032397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).