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

C13H27NO2 — CID 64571820

IUPAC1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine
SMILESCC(C)CCOCCOCC1(N)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-11-13(14)6-3-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeySQLDDFJYZCCYJJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds8

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

1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine (PubChem CID 64571820) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine
PubChem CID64571820
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine
SMILESCC(C)CCOCCOCC1(N)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-11-13(14)6-3-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeySQLDDFJYZCCYJJ-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine (CID 64571820) is 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine is CC(C)CCOCCOCC1(N)CCCC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine?
The InChIKey is SQLDDFJYZCCYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)5-8-15-9-10-16-11-13(14)6-3-4-7-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine?
1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64571820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).