1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

C13H22N4 — CID 105495239

IUPAC1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCN1CCCC(c2cnc(C3(N)CCC3)[nH]2)C1
InChIInChI=1S/C13H22N4/c1-17-7-2-4-10(9-17)11-8-15-12(16-11)13(14)5-3-6-13/h8,10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyDNCXCQSJBHEAOS-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.56
Rot. Bonds2

About 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 105495239) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID105495239
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCN1CCCC(c2cnc(C3(N)CCC3)[nH]2)C1
InChIInChI=1S/C13H22N4/c1-17-7-2-4-10(9-17)11-8-15-12(16-11)13(14)5-3-6-13/h8,10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyDNCXCQSJBHEAOS-UHFFFAOYSA-N
XLogP1.56
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 105495239) is 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is CN1CCCC(c2cnc(C3(N)CCC3)[nH]2)C1.
What is the InChIKey of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is DNCXCQSJBHEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17-7-2-4-10(9-17)11-8-15-12(16-11)13(14)5-3-6-13/h8,10H,2-7,9,14H2,1H3,(H,15,16).
What are the key properties of 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 105495239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).