3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine

C15H31N3O — CID 166035319

IUPAC3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-13(2)11-17-5-7-18(8-6-17)12-16(3)14-9-15(10-14)19-4/h13-15H,5-12H2,1-4H3
InChIKeyHPFOBTBJNMWWBJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.33
Rot. Bonds6

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

3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 166035319) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
PubChem CID166035319
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESCOC1CC(N(C)CN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H31N3O/c1-13(2)11-17-5-7-18(8-6-17)12-16(3)14-9-15(10-14)19-4/h13-15H,5-12H2,1-4H3
InChIKeyHPFOBTBJNMWWBJ-UHFFFAOYSA-N
XLogP1.33
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.33
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-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine (CID 166035319) is 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine is COC1CC(N(C)CN2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is HPFOBTBJNMWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)11-17-5-7-18(8-6-17)12-16(3)14-9-15(10-14)19-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
3-methoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.33, 6 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-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 166035319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).