2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine

C13H25NO2 — CID 66350493

IUPAC2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1OC1CCOC1
InChIInChI=1S/C13H25NO2/c1-4-13(5-2)11(14-3)8-12(13)16-10-6-7-15-9-10/h10-12,14H,4-9H2,1-3H3
InChIKeyZNXQLKCCGUOIFB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds5

About 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine

2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine (PubChem CID 66350493) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine
PubChem CID66350493
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1OC1CCOC1
InChIInChI=1S/C13H25NO2/c1-4-13(5-2)11(14-3)8-12(13)16-10-6-7-15-9-10/h10-12,14H,4-9H2,1-3H3
InChIKeyZNXQLKCCGUOIFB-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine (CID 66350493) is 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine is CCC1(CC)C(NC)CC1OC1CCOC1.
What is the InChIKey of 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine?
The InChIKey is ZNXQLKCCGUOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-13(5-2)11(14-3)8-12(13)16-10-6-7-15-9-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine?
2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-3-(oxolan-3-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).