potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide

C18H21KN4 — CID 170704919

IUPACpotassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide
SMILESCC(C)N1Cc2ccccc2/C([N-]N)=C(/N)c2ccccc21.[K+]
InChIInChI=1S/C18H21N4.K/c1-12(2)22-11-13-7-3-4-8-14(13)18(21-20)17(19)15-9-5-6-10-16(15)22;/h3-10,12H,11,19-20H2,1-2H3;/q-1;+1/b18-17-;
InChIKeyULUJJURSOQVDBY-YBFBCAGJSA-N
MW332.49 g/mol
LogP0.45
Rot. Bonds2

About potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide

potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide (PubChem CID 170704919) has the molecular formula C18H21KN4 and a molecular weight of 332.49 g/mol. Its IUPAC name is potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide.

Molecular Properties

Compound Namepotassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide
PubChem CID170704919
Molecular FormulaC18H21KN4
Molecular Weight332.49 g/mol
Exact Mass332.14
IUPAC Namepotassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide
SMILESCC(C)N1Cc2ccccc2/C([N-]N)=C(/N)c2ccccc21.[K+]
InChIInChI=1S/C18H21N4.K/c1-12(2)22-11-13-7-3-4-8-14(13)18(21-20)17(19)15-9-5-6-10-16(15)22;/h3-10,12H,11,19-20H2,1-2H3;/q-1;+1/b18-17-;
InChIKeyULUJJURSOQVDBY-YBFBCAGJSA-N
XLogP0.45
TPSA69.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide?
The IUPAC name of potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide (CID 170704919) is potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide.
What is the SMILES notation for potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide?
The canonical SMILES for potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide is CC(C)N1Cc2ccccc2/C([N-]N)=C(/N)c2ccccc21.[K+].
What is the InChIKey of potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide?
The InChIKey is ULUJJURSOQVDBY-YBFBCAGJSA-N. The full InChI is InChI=1S/C18H21N4.K/c1-12(2)22-11-13-7-3-4-8-14(13)18(21-20)17(19)15-9-5-6-10-16(15)22;/h3-10,12H,11,19-20H2,1-2H3;/q-1;+1/b18-17-;.
What are the key properties of potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide?
potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide has a molecular weight of 332.49 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium amino-[(11Z)-12-amino-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-yl]azanide is sourced from PubChem (CID 170704919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).