1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine

C12H25NO3 — CID 103180988

IUPAC1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine
SMILESCOCCCOCCOCC1(N)CCCC1
InChIInChI=1S/C12H25NO3/c1-14-7-4-8-15-9-10-16-11-12(13)5-2-3-6-12/h2-11,13H2,1H3
InChIKeyWWYVTHXJFNKDPU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds9

About 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine

1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine (PubChem CID 103180988) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine
PubChem CID103180988
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine
SMILESCOCCCOCCOCC1(N)CCCC1
InChIInChI=1S/C12H25NO3/c1-14-7-4-8-15-9-10-16-11-12(13)5-2-3-6-12/h2-11,13H2,1H3
InChIKeyWWYVTHXJFNKDPU-UHFFFAOYSA-N
XLogP1.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine (CID 103180988) is 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine is COCCCOCCOCC1(N)CCCC1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine?
The InChIKey is WWYVTHXJFNKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-7-4-8-15-9-10-16-11-12(13)5-2-3-6-12/h2-11,13H2,1H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine?
1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 103180988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).