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

C15H19N3 — CID 79509104

IUPAC1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1C1CC1
InChIInChI=1S/C15H19N3/c16-14-17-10-15(18(14)13-5-6-13)8-7-11-3-1-2-4-12(11)9-15/h1-4,13H,5-10H2,(H2,16,17)
InChIKeyAHOHIWZFENXYLS-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.71
Rot. Bonds1

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

1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (PubChem CID 79509104) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
PubChem CID79509104
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCc3ccccc3C2)N1C1CC1
InChIInChI=1S/C15H19N3/c16-14-17-10-15(18(14)13-5-6-13)8-7-11-3-1-2-4-12(11)9-15/h1-4,13H,5-10H2,(H2,16,17)
InChIKeyAHOHIWZFENXYLS-UHFFFAOYSA-N
XLogP1.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine (CID 79509104) is 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is NC1=NCC2(CCc3ccccc3C2)N1C1CC1.
What is the InChIKey of 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
The InChIKey is AHOHIWZFENXYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-14-17-10-15(18(14)13-5-6-13)8-7-11-3-1-2-4-12(11)9-15/h1-4,13H,5-10H2,(H2,16,17).
What are the key properties of 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine?
1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine has a molecular weight of 241.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79509104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).