11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine

C14H14N4 — CID 102235005

IUPAC11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine
SMILESNc1ccc2c(c1)/N=N\c1cc(N)ccc1CC2
InChIInChI=1S/C14H14N4/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)18-17-13(9)7-11/h3-8H,1-2,15-16H2/b18-17-
InChIKeyFHGPHPSXNMNRIR-ZCXUNETKSA-N
MW238.29 g/mol
LogP3.37
Rot. Bonds

About 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine

11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine (PubChem CID 102235005) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine.

Molecular Properties

Compound Name11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine
PubChem CID102235005
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine
SMILESNc1ccc2c(c1)/N=N\c1cc(N)ccc1CC2
InChIInChI=1S/C14H14N4/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)18-17-13(9)7-11/h3-8H,1-2,15-16H2/b18-17-
InChIKeyFHGPHPSXNMNRIR-ZCXUNETKSA-N
XLogP3.37
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine?
The IUPAC name of 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine (CID 102235005) is 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine.
What is the SMILES notation for 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine?
The canonical SMILES for 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine is Nc1ccc2c(c1)/N=N\c1cc(N)ccc1CC2.
What is the InChIKey of 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine?
The InChIKey is FHGPHPSXNMNRIR-ZCXUNETKSA-N. The full InChI is InChI=1S/C14H14N4/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)18-17-13(9)7-11/h3-8H,1-2,15-16H2/b18-17-.
What are the key properties of 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine?
11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine has a molecular weight of 238.29 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dihydrobenzo[c][1,2]benzodiazocine-3,8-diamine is sourced from PubChem (CID 102235005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).