1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

C16H23N3 — CID 79510169

IUPAC1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C16H23N3/c1-4-19-14(17)18-11-16(19)10-9-15(2,3)12-7-5-6-8-13(12)16/h5-8H,4,9-11H2,1-3H3,(H2,17,18)
InChIKeyVPFXYUGBRRKRGY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.60
Rot. Bonds1

About 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79510169) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79510169
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C16H23N3/c1-4-19-14(17)18-11-16(19)10-9-15(2,3)12-7-5-6-8-13(12)16/h5-8H,4,9-11H2,1-3H3,(H2,17,18)
InChIKeyVPFXYUGBRRKRGY-UHFFFAOYSA-N
XLogP2.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79510169) is 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is CCN1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is VPFXYUGBRRKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-14(17)18-11-16(19)10-9-15(2,3)12-7-5-6-8-13(12)16/h5-8H,4,9-11H2,1-3H3,(H2,17,18).
What are the key properties of 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 257.38 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79510169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).