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

C16H33N3O — CID 166035265

IUPAC3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N(C)CN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H33N3O/c1-5-20-16-10-15(11-16)17(4)13-19-8-6-18(7-9-19)12-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyLFCYHDLTEYQVED-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.72
Rot. Bonds7

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

3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 166035265) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
PubChem CID166035265
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine
SMILESCCOC1CC(N(C)CN2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H33N3O/c1-5-20-16-10-15(11-16)17(4)13-19-8-6-18(7-9-19)12-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyLFCYHDLTEYQVED-UHFFFAOYSA-N
XLogP1.72
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine (CID 166035265) is 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine is CCOC1CC(N(C)CN2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is LFCYHDLTEYQVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-20-16-10-15(11-16)17(4)13-19-8-6-18(7-9-19)12-14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine?
3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 166035265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).