3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

C19H29N3 — CID 86663183

IUPAC3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCC(C)CCc1ccc2c(c1)C1(CN(C)C(N)=N1)C(C)CC2
InChIInChI=1S/C19H29N3/c1-13(2)5-7-15-8-10-16-9-6-14(3)19(17(16)11-15)12-22(4)18(20)21-19/h8,10-11,13-14H,5-7,9,12H2,1-4H3,(H2,20,21)
InChIKeyAIGCETGRVABKLC-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.31
Rot. Bonds3

About 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 86663183) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID86663183
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCC(C)CCc1ccc2c(c1)C1(CN(C)C(N)=N1)C(C)CC2
InChIInChI=1S/C19H29N3/c1-13(2)5-7-15-8-10-16-9-6-14(3)19(17(16)11-15)12-22(4)18(20)21-19/h8,10-11,13-14H,5-7,9,12H2,1-4H3,(H2,20,21)
InChIKeyAIGCETGRVABKLC-UHFFFAOYSA-N
XLogP3.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 86663183) is 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is CC(C)CCc1ccc2c(c1)C1(CN(C)C(N)=N1)C(C)CC2.
What is the InChIKey of 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is AIGCETGRVABKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-13(2)5-7-15-8-10-16-9-6-14(3)19(17(16)11-15)12-22(4)18(20)21-19/h8,10-11,13-14H,5-7,9,12H2,1-4H3,(H2,20,21).
What are the key properties of 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 299.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-dimethyl-6-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 86663183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).