1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

C11H23N3 — CID 79854675

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCN1CCN(CCC2(N)CCC2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)6-5-11(12)3-2-4-11/h2-10,12H2,1H3
InChIKeyRRMSTXILLUZHEA-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.51
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 79854675) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
PubChem CID79854675
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCN1CCN(CCC2(N)CCC2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)6-5-11(12)3-2-4-11/h2-10,12H2,1H3
InChIKeyRRMSTXILLUZHEA-UHFFFAOYSA-N
XLogP0.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (CID 79854675) is 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is CN1CCN(CCC2(N)CCC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is RRMSTXILLUZHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)6-5-11(12)3-2-4-11/h2-10,12H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79854675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).