(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine

C16H16N2 — CID 139337778

IUPAC(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine
SMILESC/C1=C/c2ccccc2N(N)Cc2ccccc21
InChIInChI=1S/C16H16N2/c1-12-10-13-6-3-5-9-16(13)18(17)11-14-7-2-4-8-15(12)14/h2-10H,11,17H2,1H3/b12-10-
InChIKeyHLEUJSKWYDTROG-BENRWUELSA-N
MW236.32 g/mol
LogP3.44
Rot. Bonds

About (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine

(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine (PubChem CID 139337778) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine.

Molecular Properties

Compound Name(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine
PubChem CID139337778
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine
SMILESC/C1=C/c2ccccc2N(N)Cc2ccccc21
InChIInChI=1S/C16H16N2/c1-12-10-13-6-3-5-9-16(13)18(17)11-14-7-2-4-8-15(12)14/h2-10H,11,17H2,1H3/b12-10-
InChIKeyHLEUJSKWYDTROG-BENRWUELSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine?
The IUPAC name of (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine (CID 139337778) is (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine.
What is the SMILES notation for (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine?
The canonical SMILES for (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine is C/C1=C/c2ccccc2N(N)Cc2ccccc21.
What is the InChIKey of (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine?
The InChIKey is HLEUJSKWYDTROG-BENRWUELSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-10-13-6-3-5-9-16(13)18(17)11-14-7-2-4-8-15(12)14/h2-10H,11,17H2,1H3/b12-10-.
What are the key properties of (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine?
(11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine has a molecular weight of 236.32 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-methyl-6H-benzo[c][1]benzazocin-5-amine is sourced from PubChem (CID 139337778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).