N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine

C13H25NO2 — CID 66350255

IUPACN,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC2CCOCC2)C1(C)C
InChIInChI=1S/C13H25NO2/c1-13(2)11(14-3)8-12(13)16-9-10-4-6-15-7-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyKXXLFTJEMRMJPC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.82
Rot. Bonds4

About N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine

N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine (PubChem CID 66350255) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
PubChem CID66350255
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
SMILESCNC1CC(OCC2CCOCC2)C1(C)C
InChIInChI=1S/C13H25NO2/c1-13(2)11(14-3)8-12(13)16-9-10-4-6-15-7-5-10/h10-12,14H,4-9H2,1-3H3
InChIKeyKXXLFTJEMRMJPC-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine (CID 66350255) is N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine is CNC1CC(OCC2CCOCC2)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine?
The InChIKey is KXXLFTJEMRMJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)11(14-3)8-12(13)16-9-10-4-6-15-7-5-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine?
N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine is sourced from PubChem (CID 66350255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).