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

C17H35NO2 — CID 103029493

IUPAC3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO2/c1-9-10-18-14(12-15(2,3)19-8)13-11-16(4,5)20-17(13,6)7/h13-14,18H,9-12H2,1-8H3
InChIKeyPKGBDEHZYIRSBP-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.76
Rot. Bonds7

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

3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 103029493) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID103029493
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35NO2/c1-9-10-18-14(12-15(2,3)19-8)13-11-16(4,5)20-17(13,6)7/h13-14,18H,9-12H2,1-8H3
InChIKeyPKGBDEHZYIRSBP-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 103029493) is 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is PKGBDEHZYIRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-9-10-18-14(12-15(2,3)19-8)13-11-16(4,5)20-17(13,6)7/h13-14,18H,9-12H2,1-8H3.
What are the key properties of 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).