3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine

C13H27NO2 — CID 112553021

IUPAC3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCCOCC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-4-16-13-8-12(9-13)14-6-5-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyXGUKLIRATOEBGC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds9

About 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine

3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine (PubChem CID 112553021) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
PubChem CID112553021
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCCOCC(C)C)C1
InChIInChI=1S/C13H27NO2/c1-4-16-13-8-12(9-13)14-6-5-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyXGUKLIRATOEBGC-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
4-[(3-ethoxycyclobutyl)amino]butan-2-ol
CID 112554620
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
CID 104926478
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
N-(2-cyclopropylpropyl)-3-ethoxycyclobutan-1-amine
CID 115903592
3-ethoxy-N-(2-piperidin-4-yloxyethyl)cyclobutan-1-amine
CID 114119831
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
3-(2-ethoxyethoxy)-N-propylcyclobutan-1-amine
CID 66359394
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
CID 112554482

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine (CID 112553021) is 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine is CCOC1CC(NCCCOCC(C)C)C1.
What is the InChIKey of 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
The InChIKey is XGUKLIRATOEBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-16-13-8-12(9-13)14-6-5-7-15-10-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine?
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine is sourced from PubChem (CID 112553021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).