1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine

C12H22N4 — CID 79510730

IUPAC1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCCN1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C12H22N4/c1-3-16-11(13)14-8-12(16)6-9-4-5-10(7-12)15(9)2/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyJJHHBPKIBKOTOS-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.63
Rot. Bonds1

About 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine

1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79510730) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79510730
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCCN1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C12H22N4/c1-3-16-11(13)14-8-12(16)6-9-4-5-10(7-12)15(9)2/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyJJHHBPKIBKOTOS-UHFFFAOYSA-N
XLogP0.63
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79510730) is 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CCN1C(N)=NCC12CC1CCC(C2)N1C.
What is the InChIKey of 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is JJHHBPKIBKOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-11(13)14-8-12(16)6-9-4-5-10(7-12)15(9)2/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79510730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).