1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

C17H23N3 — CID 79498323

IUPAC1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h4-8H,1,9-12H2,2-3H3,(H2,18,19)
InChIKeyOZPSURUCBPILND-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.77
Rot. Bonds2

About 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79498323) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79498323
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H23N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h4-8H,1,9-12H2,2-3H3,(H2,18,19)
InChIKeyOZPSURUCBPILND-UHFFFAOYSA-N
XLogP2.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79498323) is 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is C=CCN1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is OZPSURUCBPILND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h4-8H,1,9-12H2,2-3H3,(H2,18,19).
What are the key properties of 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 269.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1'-prop-2-enylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79498323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).