2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine

C15H31NO2 — CID 66353076

IUPAC2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCOC)C1(CC)CC
InChIInChI=1S/C15H31NO2/c1-5-9-16-13-12-14(15(13,6-2)7-3)18-11-8-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyXHMKINGDOCGZOF-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine

2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine (PubChem CID 66353076) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
PubChem CID66353076
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCCCOC)C1(CC)CC
InChIInChI=1S/C15H31NO2/c1-5-9-16-13-12-14(15(13,6-2)7-3)18-11-8-10-17-4/h13-14,16H,5-12H2,1-4H3
InChIKeyXHMKINGDOCGZOF-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
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 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine (CID 66353076) is 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(OCCCOC)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine?
The InChIKey is XHMKINGDOCGZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-9-16-13-12-14(15(13,6-2)7-3)18-11-8-10-17-4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine?
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66353076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).