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

C14H26N4 — CID 79514662

IUPAC1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCCC(C)N1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C14H26N4/c1-4-10(2)18-13(15)16-9-14(18)7-11-5-6-12(8-14)17(11)3/h10-12H,4-9H2,1-3H3,(H2,15,16)
InChIKeySKHXUKKHOJAXFB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.41
Rot. Bonds2

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

1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79514662) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79514662
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCCC(C)N1C(N)=NCC12CC1CCC(C2)N1C
InChIInChI=1S/C14H26N4/c1-4-10(2)18-13(15)16-9-14(18)7-11-5-6-12(8-14)17(11)3/h10-12H,4-9H2,1-3H3,(H2,15,16)
InChIKeySKHXUKKHOJAXFB-UHFFFAOYSA-N
XLogP1.41
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79514662) is 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CCC(C)N1C(N)=NCC12CC1CCC(C2)N1C.
What is the InChIKey of 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is SKHXUKKHOJAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-10(2)18-13(15)16-9-14(18)7-11-5-6-12(8-14)17(11)3/h10-12H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79514662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).