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

C17H23N3 — CID 79502069

IUPAC1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1C1CCCC1
InChIInChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-17/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19)
InChIKeyISLVUUUEMQXQIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.49
Rot. Bonds1

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

1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79502069) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID79502069
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1C1CCCC1
InChIInChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-17/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19)
InChIKeyISLVUUUEMQXQIY-UHFFFAOYSA-N
XLogP2.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 79502069) is 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is NC1=NCC2(CCc3ccccc3C2)N1C1CCCC1.
What is the InChIKey of 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is ISLVUUUEMQXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-7-3-4-8-15)10-9-13-5-1-2-6-14(13)11-17/h1-2,5-6,15H,3-4,7-12H2,(H2,18,19).
What are the key properties of 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 269.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79502069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).