2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine

C18H36N2O — CID 79913080

IUPAC2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCC(C)CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-7-10-19-16-15(17(3,4)21-18(16,5)6)13-20-11-8-14(2)9-12-20/h14-16,19H,7-13H2,1-6H3
InChIKeyZLOAZSIBNRHJDP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine

2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine (PubChem CID 79913080) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
PubChem CID79913080
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCC(C)CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-7-10-19-16-15(17(3,4)21-18(16,5)6)13-20-11-8-14(2)9-12-20/h14-16,19H,7-13H2,1-6H3
InChIKeyZLOAZSIBNRHJDP-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79914809
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
CID 79912448
2,2,5,5-tetramethyl-4-(1,4-oxazepan-4-ylmethyl)-N-propyloxolan-3-amine
CID 79914148
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]-4-methylpiperidin-4-ol
CID 81097682
N-ethyl-2,2,5,5-tetramethyl-4-[(2-methylmorpholin-4-yl)methyl]oxolan-3-amine
CID 79933538
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-3-ol
CID 79933676
4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79913336
1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 79933882
1-[1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115967284
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 79915255

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine (CID 79913080) is 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine is CCCNC1C(CN2CCC(C)CC2)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine?
The InChIKey is ZLOAZSIBNRHJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-10-19-16-15(17(3,4)21-18(16,5)6)13-20-11-8-14(2)9-12-20/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine?
2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 79913080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).