1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine

C8H13N3 — CID 96733863

IUPAC1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine
SMILESCc1cnc(C2(N)CCC2)[nH]1
InChIInChI=1S/C8H13N3/c1-6-5-10-7(11-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyWTYNCUBFOBLVGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.06
Rot. Bonds1

About 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine

1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine (PubChem CID 96733863) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine
PubChem CID96733863
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine
SMILESCc1cnc(C2(N)CCC2)[nH]1
InChIInChI=1S/C8H13N3/c1-6-5-10-7(11-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyWTYNCUBFOBLVGW-UHFFFAOYSA-N
XLogP1.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine (CID 96733863) is 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine is Cc1cnc(C2(N)CCC2)[nH]1.
What is the InChIKey of 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine?
The InChIKey is WTYNCUBFOBLVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-5-10-7(11-6)8(9)3-2-4-8/h5H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine?
1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 96733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).