1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine

C23H25N3 — CID 18751702

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine
SMILES[H]/N=C(\N(C)c1cccc(C)c1C)N(C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H25N3/c1-15-7-5-10-20(16(15)2)25(3)23(24)26(4)21-14-13-18-12-11-17-8-6-9-19(21)22(17)18/h5-10,13-14,24H,11-12H2,1-4H3/b24-23+
InChIKeyBOQHFKFQFYSIKC-WCWDXBQESA-N
MW343.47 g/mol
LogP5.06
Rot. Bonds2

About 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine

1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine (PubChem CID 18751702) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine
PubChem CID18751702
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine
SMILES[H]/N=C(\N(C)c1cccc(C)c1C)N(C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H25N3/c1-15-7-5-10-20(16(15)2)25(3)23(24)26(4)21-14-13-18-12-11-17-8-6-9-19(21)22(17)18/h5-10,13-14,24H,11-12H2,1-4H3/b24-23+
InChIKeyBOQHFKFQFYSIKC-WCWDXBQESA-N
XLogP5.06
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine 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-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine (CID 18751702) is 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine is [H]/N=C(\N(C)c1cccc(C)c1C)N(C)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine?
The InChIKey is BOQHFKFQFYSIKC-WCWDXBQESA-N. The full InChI is InChI=1S/C23H25N3/c1-15-7-5-10-20(16(15)2)25(3)23(24)26(4)21-14-13-18-12-11-17-8-6-9-19(21)22(17)18/h5-10,13-14,24H,11-12H2,1-4H3/b24-23+.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine has a molecular weight of 343.47 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-3-(2,3-dimethylphenyl)-1,3-dimethylguanidine is sourced from PubChem (CID 18751702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).