3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride

C7H13Cl2N3 — CID 122423933

IUPAC3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H11N3.2ClH/c8-6-3-5(4-6)7-9-1-2-10-7;;/h1-2,5-6H,3-4,8H2,(H,9,10);2*1H
InChIKeyAQGNIGWFQZAIIU-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.46
Rot. Bonds1

About 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride

3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride (PubChem CID 122423933) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride
PubChem CID122423933
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2ncc[nH]2)C1
InChIInChI=1S/C7H11N3.2ClH/c8-6-3-5(4-6)7-9-1-2-10-7;;/h1-2,5-6H,3-4,8H2,(H,9,10);2*1H
InChIKeyAQGNIGWFQZAIIU-UHFFFAOYSA-N
XLogP1.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride (CID 122423933) is 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1CC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride?
The InChIKey is AQGNIGWFQZAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-6-3-5(4-6)7-9-1-2-10-7;;/h1-2,5-6H,3-4,8H2,(H,9,10);2*1H.
What are the key properties of 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride?
3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 122423933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).