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

C11H20N4 — CID 79510593

IUPAC1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1C)C2
InChIInChI=1S/C11H20N4/c1-14-8-3-4-9(14)6-11(5-8)7-13-10(12)15(11)2/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyNBFNKVWPUKYMBZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.24
Rot. Bonds

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

1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79510593) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79510593
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1C)C2
InChIInChI=1S/C11H20N4/c1-14-8-3-4-9(14)6-11(5-8)7-13-10(12)15(11)2/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyNBFNKVWPUKYMBZ-UHFFFAOYSA-N
XLogP0.24
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79510593) is 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CN1C2CCC1CC1(CN=C(N)N1C)C2.
What is the InChIKey of 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is NBFNKVWPUKYMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-8-3-4-9(14)6-11(5-8)7-13-10(12)15(11)2/h8-9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 208.31 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79510593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).