1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine

C17H23N3O — CID 79499139

IUPAC1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1CC1CCCO1
InChIInChI=1S/C17H23N3O/c18-16-19-12-17(20(16)11-15-6-3-9-21-15)8-7-13-4-1-2-5-14(13)10-17/h1-2,4-5,15H,3,6-12H2,(H2,18,19)
InChIKeyDSXFMCVEUBYDRL-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.72
Rot. Bonds2

About 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine

1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79499139) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID79499139
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1CC1CCCO1
InChIInChI=1S/C17H23N3O/c18-16-19-12-17(20(16)11-15-6-3-9-21-15)8-7-13-4-1-2-5-14(13)10-17/h1-2,4-5,15H,3,6-12H2,(H2,18,19)
InChIKeyDSXFMCVEUBYDRL-UHFFFAOYSA-N
XLogP1.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 79499139) is 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is NC1=NCC2(CCc3ccccc3C2)N1CC1CCCO1.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is DSXFMCVEUBYDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-16-19-12-17(20(16)11-15-6-3-9-21-15)8-7-13-4-1-2-5-14(13)10-17/h1-2,4-5,15H,3,6-12H2,(H2,18,19).
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 285.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79499139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).