1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine

C23H25N3 — CID 18752250

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(/N=C(\N)N(C)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C23H25N3/c1-15(2)18-7-4-8-19(14-18)25-23(24)26(3)21-13-12-17-11-10-16-6-5-9-20(21)22(16)17/h4-9,12-15H,10-11H2,1-3H3,(H2,24,25)
InChIKeyGRRVQFRIYHUSOK-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.14
Rot. Bonds3

About 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine

1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine (PubChem CID 18752250) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine
PubChem CID18752250
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(/N=C(\N)N(C)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C23H25N3/c1-15(2)18-7-4-8-19(14-18)25-23(24)26(3)21-13-12-17-11-10-16-6-5-9-20(21)22(16)17/h4-9,12-15H,10-11H2,1-3H3,(H2,24,25)
InChIKeyGRRVQFRIYHUSOK-UHFFFAOYSA-N
XLogP5.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine (CID 18752250) is 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(/N=C(\N)N(C)c2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine?
The InChIKey is GRRVQFRIYHUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-15(2)18-7-4-8-19(14-18)25-23(24)26(3)21-13-12-17-11-10-16-6-5-9-20(21)22(16)17/h4-9,12-15H,10-11H2,1-3H3,(H2,24,25).
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-2-(3-propan-2-ylphenyl)guanidine has a molecular weight of 343.47 g/mol, XLogP of 5.14, 3 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)-1-methyl-2-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 18752250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).