2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine

C19H24N4 — CID 4686823

IUPAC2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
SMILESNC(N)=NCCN1Cc2ccccc2CCc2ccccc2C1
InChIInChI=1S/C19H24N4/c20-19(21)22-11-12-23-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-23/h1-8H,9-14H2,(H4,20,21,22)
InChIKeyQRFWHESGBVHUAF-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.06
Rot. Bonds3

About 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine

2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine (PubChem CID 4686823) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
PubChem CID4686823
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine
SMILESNC(N)=NCCN1Cc2ccccc2CCc2ccccc2C1
InChIInChI=1S/C19H24N4/c20-19(21)22-11-12-23-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-23/h1-8H,9-14H2,(H4,20,21,22)
InChIKeyQRFWHESGBVHUAF-UHFFFAOYSA-N
XLogP2.06
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine 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 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine (CID 4686823) is 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine is NC(N)=NCCN1Cc2ccccc2CCc2ccccc2C1.
What is the InChIKey of 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine?
The InChIKey is QRFWHESGBVHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c20-19(21)22-11-12-23-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-23/h1-8H,9-14H2,(H4,20,21,22).
What are the key properties of 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine?
2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine has a molecular weight of 308.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]guanidine is sourced from PubChem (CID 4686823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).