1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

C23H20N4 — CID 54566292

IUPAC1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(N)c2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20N4/c24-19-11-13-20(17-6-2-1-5-16(17)19)27(23(25)26)21-12-10-15-9-8-14-4-3-7-18(21)22(14)15/h1-7,10-13H,8-9,24H2,(H3,25,26)
InChIKeyZUBCSQVAJKMDJV-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.71
Rot. Bonds2

About 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine

1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (PubChem CID 54566292) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.

Molecular Properties

Compound Name1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
PubChem CID54566292
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(N)c2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H20N4/c24-19-11-13-20(17-6-2-1-5-16(17)19)27(23(25)26)21-12-10-15-9-8-14-4-3-7-18(21)22(14)15/h1-7,10-13H,8-9,24H2,(H3,25,26)
InChIKeyZUBCSQVAJKMDJV-UHFFFAOYSA-N
XLogP4.71
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)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 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The IUPAC name of 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine (CID 54566292) is 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine.
What is the SMILES notation for 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The canonical SMILES for 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is [H]/N=C(\N)N(c1ccc(N)c2ccccc12)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
The InChIKey is ZUBCSQVAJKMDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c24-19-11-13-20(17-6-2-1-5-16(17)19)27(23(25)26)21-12-10-15-9-8-14-4-3-7-18(21)22(14)15/h1-7,10-13H,8-9,24H2,(H3,25,26).
What are the key properties of 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine?
1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine has a molecular weight of 352.44 g/mol, XLogP of 4.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine is sourced from PubChem (CID 54566292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).