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

C14H27N5 — CID 79496867

IUPAC1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN(C)CCN1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C14H27N5/c1-17(2)6-7-19-13(15)16-10-14(19)8-11-4-5-12(9-14)18(11)3/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyXVFBUUVYBUJCRL-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.17
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79496867) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79496867
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN(C)CCN1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C14H27N5/c1-17(2)6-7-19-13(15)16-10-14(19)8-11-4-5-12(9-14)18(11)3/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyXVFBUUVYBUJCRL-UHFFFAOYSA-N
XLogP0.17
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79496867) is 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CN(C)CCN1C(N)=NCC12CC1CCC(C2)N1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is XVFBUUVYBUJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-17(2)6-7-19-13(15)16-10-14(19)8-11-4-5-12(9-14)18(11)3/h11-12H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 265.40 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79496867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).