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

C13H17N3 — CID 79509582

IUPAC1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCN1C(N)=NCC12CCCc1ccccc12
InChIInChI=1S/C13H17N3/c1-16-12(14)15-9-13(16)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,4,6,8-9H2,1H3,(H2,14,15)
InChIKeyXDXNIVAYOYKVMJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.48
Rot. Bonds

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

1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79509582) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79509582
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCN1C(N)=NCC12CCCc1ccccc12
InChIInChI=1S/C13H17N3/c1-16-12(14)15-9-13(16)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,4,6,8-9H2,1H3,(H2,14,15)
InChIKeyXDXNIVAYOYKVMJ-UHFFFAOYSA-N
XLogP1.48
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine (CID 79509582) is 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is CN1C(N)=NCC12CCCc1ccccc12.
What is the InChIKey of 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is XDXNIVAYOYKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-12(14)15-9-13(16)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7H,4,6,8-9H2,1H3,(H2,14,15).
What are the key properties of 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine?
1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 215.30 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79509582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).