7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

C17H25N3O — CID 79498420

IUPAC7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOc1ccc2c(c1)CCCC21CN=C(N)N1CC(C)C
InChIInChI=1S/C17H25N3O/c1-12(2)10-20-16(18)19-11-17(20)8-4-5-13-9-14(21-3)6-7-15(13)17/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19)
InChIKeyZEWWWMWWAHPPBL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds3

About 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine

7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79498420) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79498420
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCOc1ccc2c(c1)CCCC21CN=C(N)N1CC(C)C
InChIInChI=1S/C17H25N3O/c1-12(2)10-20-16(18)19-11-17(20)8-4-5-13-9-14(21-3)6-7-15(13)17/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19)
InChIKeyZEWWWMWWAHPPBL-UHFFFAOYSA-N
XLogP2.51
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 79498420) is 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is COc1ccc2c(c1)CCCC21CN=C(N)N1CC(C)C.
What is the InChIKey of 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is ZEWWWMWWAHPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)10-20-16(18)19-11-17(20)8-4-5-13-9-14(21-3)6-7-15(13)17/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 287.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79498420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).