(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C16H31NO3 — CID 114623564

IUPAC(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCOC1(C(N)C2CC(C)(C)OC2(C)C)CCOCC1
InChIInChI=1S/C16H31NO3/c1-6-19-16(7-9-18-10-8-16)13(17)12-11-14(2,3)20-15(12,4)5/h12-13H,6-11,17H2,1-5H3
InChIKeyRSSRXEXOONJKFF-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.49
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623564) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623564
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCOC1(C(N)C2CC(C)(C)OC2(C)C)CCOCC1
InChIInChI=1S/C16H31NO3/c1-6-19-16(7-9-18-10-8-16)13(17)12-11-14(2,3)20-15(12,4)5/h12-13H,6-11,17H2,1-5H3
InChIKeyRSSRXEXOONJKFF-UHFFFAOYSA-N
XLogP2.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623564) is (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CCOC1(C(N)C2CC(C)(C)OC2(C)C)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is RSSRXEXOONJKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-19-16(7-9-18-10-8-16)13(17)12-11-14(2,3)20-15(12,4)5/h12-13H,6-11,17H2,1-5H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).