N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine

C12H25NO2 — CID 106206340

IUPACN-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCC1CCC1
InChIInChI=1S/C12H25NO2/c1-14-9-3-7-13-8-11-15-10-6-12-4-2-5-12/h12-13H,2-11H2,1H3
InChIKeyFJURZXWMOLTLPR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds10

About N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine

N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine (PubChem CID 106206340) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
PubChem CID106206340
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCC1CCC1
InChIInChI=1S/C12H25NO2/c1-14-9-3-7-13-8-11-15-10-6-12-4-2-5-12/h12-13H,2-11H2,1H3
InChIKeyFJURZXWMOLTLPR-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
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-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
N-[2-(2-cyclopropylethoxy)ethyl]butan-1-amine
CID 106206265
N-[2-(3-methoxypropoxy)ethyl]-2-(3-methylcyclohexyl)ethanamine
CID 103179043
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-(2-cyclobutylethoxy)ethyl]-2-methylpropan-1-amine
CID 106205978
N-[2-(2-cyclopropylethoxy)ethyl]-4-methylpentan-1-amine
CID 106206257
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine (CID 106206340) is N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine is COCCCNCCOCCC1CCC1.
What is the InChIKey of N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine?
The InChIKey is FJURZXWMOLTLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-9-3-7-13-8-11-15-10-6-12-4-2-5-12/h12-13H,2-11H2,1H3.
What are the key properties of N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine?
N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutylethoxy)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 106206340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).