(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine

C15H16N3P — CID 171086896

IUPAC(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine
SMILESN/C1=C(\NP)c2ccccc2NCc2ccccc21
InChIInChI=1S/C15H16N3P/c16-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)15(14)18-19/h1-8,17-18H,9,16,19H2/b15-14-
InChIKeyNJRLYSSCDGFMMN-PFONDFGASA-N
MW269.29 g/mol
LogP2.78
Rot. Bonds1

About (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine

(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine (PubChem CID 171086896) has the molecular formula C15H16N3P and a molecular weight of 269.29 g/mol. Its IUPAC name is (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine.

Molecular Properties

Compound Name(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine
PubChem CID171086896
Molecular FormulaC15H16N3P
Molecular Weight269.29 g/mol
Exact Mass269.11
IUPAC Name(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine
SMILESN/C1=C(\NP)c2ccccc2NCc2ccccc21
InChIInChI=1S/C15H16N3P/c16-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)15(14)18-19/h1-8,17-18H,9,16,19H2/b15-14-
InChIKeyNJRLYSSCDGFMMN-PFONDFGASA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine?
The IUPAC name of (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine (CID 171086896) is (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine.
What is the SMILES notation for (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine?
The canonical SMILES for (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine is N/C1=C(\NP)c2ccccc2NCc2ccccc21.
What is the InChIKey of (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine?
The InChIKey is NJRLYSSCDGFMMN-PFONDFGASA-N. The full InChI is InChI=1S/C15H16N3P/c16-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)15(14)18-19/h1-8,17-18H,9,16,19H2/b15-14-.
What are the key properties of (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine?
(11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine has a molecular weight of 269.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-12-N-phosphanyl-5,6-dihydrobenzo[c][1]benzazocine-11,12-diamine is sourced from PubChem (CID 171086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).