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

C17H30N4 — CID 79497290

IUPAC1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1C1CCCCCC1)C2
InChIInChI=1S/C17H30N4/c1-20-14-8-9-15(20)11-17(10-14)12-19-16(18)21(17)13-6-4-2-3-5-7-13/h13-15H,2-12H2,1H3,(H2,18,19)
InChIKeyJHGCNFYXCJPCCB-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.33
Rot. Bonds1

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

1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79497290) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79497290
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1C1CCCCCC1)C2
InChIInChI=1S/C17H30N4/c1-20-14-8-9-15(20)11-17(10-14)12-19-16(18)21(17)13-6-4-2-3-5-7-13/h13-15H,2-12H2,1H3,(H2,18,19)
InChIKeyJHGCNFYXCJPCCB-UHFFFAOYSA-N
XLogP2.33
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79497290) is 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CN1C2CCC1CC1(CN=C(N)N1C1CCCCCC1)C2.
What is the InChIKey of 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is JHGCNFYXCJPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-20-14-8-9-15(20)11-17(10-14)12-19-16(18)21(17)13-6-4-2-3-5-7-13/h13-15H,2-12H2,1H3,(H2,18,19).
What are the key properties of 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 290.46 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79497290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).