3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C15H31NO2 — CID 103029490

IUPAC3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO2/c1-13(2,17-8)10-12(16-7)11-9-14(3,4)18-15(11,5)6/h11-12,16H,9-10H2,1-8H3
InChIKeyRDUPCDDAHFUEOM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.98
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 103029490) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID103029490
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO2/c1-13(2,17-8)10-12(16-7)11-9-14(3,4)18-15(11,5)6/h11-12,16H,9-10H2,1-8H3
InChIKeyRDUPCDDAHFUEOM-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 103029490) is 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is RDUPCDDAHFUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2,17-8)10-12(16-7)11-9-14(3,4)18-15(11,5)6/h11-12,16H,9-10H2,1-8H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103029490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).