1-acenaphthylen-5-yl-1-benzylguanidine

C20H17N3 — CID 69265501

IUPAC1-acenaphthylen-5-yl-1-benzylguanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1)c1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C20H17N3/c21-20(22)23(13-14-5-2-1-3-6-14)18-12-11-16-10-9-15-7-4-8-17(18)19(15)16/h1-12H,13H2,(H3,21,22)
InChIKeyHFYYDSBZIUKWGH-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.22
Rot. Bonds3

About 1-acenaphthylen-5-yl-1-benzylguanidine

1-acenaphthylen-5-yl-1-benzylguanidine (PubChem CID 69265501) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-acenaphthylen-5-yl-1-benzylguanidine.

Molecular Properties

Compound Name1-acenaphthylen-5-yl-1-benzylguanidine
PubChem CID69265501
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-acenaphthylen-5-yl-1-benzylguanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1)c1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C20H17N3/c21-20(22)23(13-14-5-2-1-3-6-14)18-12-11-16-10-9-15-7-4-8-17(18)19(15)16/h1-12H,13H2,(H3,21,22)
InChIKeyHFYYDSBZIUKWGH-UHFFFAOYSA-N
XLogP4.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acenaphthylen-5-yl-1-benzylguanidine?
The IUPAC name of 1-acenaphthylen-5-yl-1-benzylguanidine (CID 69265501) is 1-acenaphthylen-5-yl-1-benzylguanidine.
What is the SMILES notation for 1-acenaphthylen-5-yl-1-benzylguanidine?
The canonical SMILES for 1-acenaphthylen-5-yl-1-benzylguanidine is [H]/N=C(\N)N(Cc1ccccc1)c1ccc2c3c(cccc13)C=C2.
What is the InChIKey of 1-acenaphthylen-5-yl-1-benzylguanidine?
The InChIKey is HFYYDSBZIUKWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-20(22)23(13-14-5-2-1-3-6-14)18-12-11-16-10-9-15-7-4-8-17(18)19(15)16/h1-12H,13H2,(H3,21,22).
What are the key properties of 1-acenaphthylen-5-yl-1-benzylguanidine?
1-acenaphthylen-5-yl-1-benzylguanidine has a molecular weight of 299.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acenaphthylen-5-yl-1-benzylguanidine is sourced from PubChem (CID 69265501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).