3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

C13H27N3O — CID 162741977

IUPAC3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CCN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O/c1-14-4-7-16(8-5-14)9-6-15(2)12-10-13(11-12)17-3/h12-13H,4-11H2,1-3H3
InChIKeyJVJAOOPNBKJREJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.34
Rot. Bonds5

About 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine

3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (PubChem CID 162741977) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
PubChem CID162741977
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CCN2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3O/c1-14-4-7-16(8-5-14)9-6-15(2)12-10-13(11-12)17-3/h12-13H,4-11H2,1-3H3
InChIKeyJVJAOOPNBKJREJ-UHFFFAOYSA-N
XLogP0.34
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine (CID 162741977) is 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is COC1CC(N(C)CCN2CCN(C)CC2)C1.
What is the InChIKey of 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JVJAOOPNBKJREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-14-4-7-16(8-5-14)9-6-15(2)12-10-13(11-12)17-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine?
3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 162741977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).