4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one

C17H23N3O — CID 79960239

IUPAC4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
SMILESCCCN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23N3O/c1-4-11-20-15(21)19-14(18)17(20)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8H,4,9-11H2,1-3H3,(H2,18,19,21)
InChIKeyNLGBYAXKPZSXNW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds2

About 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one

4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one (PubChem CID 79960239) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one.

Molecular Properties

Compound Name4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
PubChem CID79960239
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one
SMILESCCCN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23N3O/c1-4-11-20-15(21)19-14(18)17(20)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8H,4,9-11H2,1-3H3,(H2,18,19,21)
InChIKeyNLGBYAXKPZSXNW-UHFFFAOYSA-N
XLogP3.16
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The IUPAC name of 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one (CID 79960239) is 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one.
What is the SMILES notation for 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The canonical SMILES for 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one is CCCN1C(=O)N=C(N)C12CCC(C)(C)c1ccccc12.
What is the InChIKey of 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
The InChIKey is NLGBYAXKPZSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-11-20-15(21)19-14(18)17(20)10-9-16(2,3)12-7-5-6-8-13(12)17/h5-8H,4,9-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one?
4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one has a molecular weight of 285.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-amino-1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-imidazole]-2'-one is sourced from PubChem (CID 79960239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).