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

C15H21N3 — CID 79509704

IUPAC1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C15H21N3/c1-14(2)8-9-15(10-17-13(16)18(15)3)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3,(H2,16,17)
InChIKeyGVNCBBKALNUCJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.21
Rot. Bonds

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

1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79509704) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79509704
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C15H21N3/c1-14(2)8-9-15(10-17-13(16)18(15)3)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3,(H2,16,17)
InChIKeyGVNCBBKALNUCJJ-UHFFFAOYSA-N
XLogP2.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79509704) is 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is CN1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is GVNCBBKALNUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-14(2)8-9-15(10-17-13(16)18(15)3)12-7-5-4-6-11(12)14/h4-7H,8-10H2,1-3H3,(H2,16,17).
What are the key properties of 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 243.35 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1'-trimethylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79509704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).