[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C18H36N2O — CID 79911496

IUPAC[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCC(C(C)(C)C)CC2)C(C)(C)O1
InChIInChI=1S/C18H36N2O/c1-15(2,3)14-8-10-20(11-9-14)18(13-19)12-16(4,5)21-17(18,6)7/h14H,8-13,19H2,1-7H3
InChIKeyDSSBFLYUWCSUPI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds2

About [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79911496) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79911496
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCC(C(C)(C)C)CC2)C(C)(C)O1
InChIInChI=1S/C18H36N2O/c1-15(2,3)14-8-10-20(11-9-14)18(13-19)12-16(4,5)21-17(18,6)7/h14H,8-13,19H2,1-7H3
InChIKeyDSSBFLYUWCSUPI-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79911496) is [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCC(C(C)(C)C)CC2)C(C)(C)O1.
What is the InChIKey of [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is DSSBFLYUWCSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(2,3)14-8-10-20(11-9-14)18(13-19)12-16(4,5)21-17(18,6)7/h14H,8-13,19H2,1-7H3.
What are the key properties of [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79911496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).