(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine

C11H25NO2 — CID 28722014

IUPAC(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCCCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(2)10-12-6-5-7-14-9-8-13-3/h11-12H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyRQXZPAOQXXGKJR-LLVKDONJSA-N
MW203.33 g/mol
LogP1.68
Rot. Bonds10

About (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine

(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine (PubChem CID 28722014) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine
PubChem CID28722014
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine
SMILESCC[C@@H](C)CNCCCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(2)10-12-6-5-7-14-9-8-13-3/h11-12H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyRQXZPAOQXXGKJR-LLVKDONJSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.68
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 (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine?
The IUPAC name of (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine (CID 28722014) is (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine.
What is the SMILES notation for (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine?
The canonical SMILES for (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine is CC[C@@H](C)CNCCCOCCOC.
What is the InChIKey of (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine?
The InChIKey is RQXZPAOQXXGKJR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-11(2)10-12-6-5-7-14-9-8-13-3/h11-12H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine?
(2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-methoxyethoxy)propyl]-2-methylbutan-1-amine is sourced from PubChem (CID 28722014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).