1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

C17H25N3 — CID 79510415

IUPAC1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H25N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3,(H2,18,19)
InChIKeyAMFVHOUNXFQXAQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds2

About 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine

1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (PubChem CID 79510415) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
PubChem CID79510415
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine
SMILESCCCN1C(N)=NCC12CCC(C)(C)c1ccccc12
InChIInChI=1S/C17H25N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3,(H2,18,19)
InChIKeyAMFVHOUNXFQXAQ-UHFFFAOYSA-N
XLogP2.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine (CID 79510415) is 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is CCCN1C(N)=NCC12CCC(C)(C)c1ccccc12.
What is the InChIKey of 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
The InChIKey is AMFVHOUNXFQXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-20-15(18)19-12-17(20)10-9-16(2,3)13-7-5-6-8-14(13)17/h5-8H,4,9-12H2,1-3H3,(H2,18,19).
What are the key properties of 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine?
1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-1'-propylspiro[2,3-dihydronaphthalene-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 79510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).