3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine

C15H31NO2 — CID 166768877

IUPAC3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine
SMILESCCOC1CC(N(C)CCCCOC(C)(C)C)C1
InChIInChI=1S/C15H31NO2/c1-6-17-14-11-13(12-14)16(5)9-7-8-10-18-15(2,3)4/h13-14H,6-12H2,1-5H3
InChIKeyMKLZIVXYNJEEHJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.08
Rot. Bonds8

About 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine

3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine (PubChem CID 166768877) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine
PubChem CID166768877
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine
SMILESCCOC1CC(N(C)CCCCOC(C)(C)C)C1
InChIInChI=1S/C15H31NO2/c1-6-17-14-11-13(12-14)16(5)9-7-8-10-18-15(2,3)4/h13-14H,6-12H2,1-5H3
InChIKeyMKLZIVXYNJEEHJ-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine (CID 166768877) is 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine is CCOC1CC(N(C)CCCCOC(C)(C)C)C1.
What is the InChIKey of 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine?
The InChIKey is MKLZIVXYNJEEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-17-14-11-13(12-14)16(5)9-7-8-10-18-15(2,3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine?
3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclobutan-1-amine is sourced from PubChem (CID 166768877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).