3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine

C11H23NO2 — CID 66352640

IUPAC3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(OCCCOC)C1(C)C
InChIInChI=1S/C11H23NO2/c1-11(2)9(12-3)8-10(11)14-7-5-6-13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyLSCBJWYKJJUHCT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds6

About 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine

3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 66352640) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID66352640
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCNC1CC(OCCCOC)C1(C)C
InChIInChI=1S/C11H23NO2/c1-11(2)9(12-3)8-10(11)14-7-5-6-13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyLSCBJWYKJJUHCT-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine (CID 66352640) is 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine is CNC1CC(OCCCOC)C1(C)C.
What is the InChIKey of 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is LSCBJWYKJJUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2)9(12-3)8-10(11)14-7-5-6-13-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine?
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 66352640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).