1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine

C15H19N3 — CID 79498692

IUPAC1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCc1ccccc1C2
InChIInChI=1S/C15H19N3/c1-2-9-18-14(16)17-11-15(18)8-7-12-5-3-4-6-13(12)10-15/h2-6H,1,7-11H2,(H2,16,17)
InChIKeyZXZACQCYGVQAMD-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.73
Rot. Bonds2

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

1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79498692) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID79498692
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESC=CCN1C(N)=NCC12CCc1ccccc1C2
InChIInChI=1S/C15H19N3/c1-2-9-18-14(16)17-11-15(18)8-7-12-5-3-4-6-13(12)10-15/h2-6H,1,7-11H2,(H2,16,17)
InChIKeyZXZACQCYGVQAMD-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.73
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'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 79498692) is 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is C=CCN1C(N)=NCC12CCc1ccccc1C2.
What is the InChIKey of 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is ZXZACQCYGVQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-9-18-14(16)17-11-15(18)8-7-12-5-3-4-6-13(12)10-15/h2-6H,1,7-11H2,(H2,16,17).
What are the key properties of 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 241.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-prop-2-enylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79498692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).