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

C18H36N2O — CID 79914809

IUPAC4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CC(C)C(C)C2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-8-9-19-16-15(17(4,5)21-18(16,6)7)12-20-10-13(2)14(3)11-20/h13-16,19H,8-12H2,1-7H3
InChIKeyDJEFKLBFGFBWOR-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds5

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

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine (PubChem CID 79914809) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
PubChem CID79914809
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CC(C)C(C)C2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-8-9-19-16-15(17(4,5)21-18(16,6)7)12-20-10-13(2)14(3)11-20/h13-16,19H,8-12H2,1-7H3
InChIKeyDJEFKLBFGFBWOR-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine with MolForge

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Related Compounds

2,2,5,5-tetramethyl-4-[(4-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 79913080
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
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
1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]-4-methylpiperidin-4-ol
CID 81097682
4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
CID 79913336
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 79915255
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
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 103539183
2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine (CID 79914809) is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The canonical SMILES for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine is CCCNC1C(CN2CC(C)C(C)C2)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The InChIKey is DJEFKLBFGFBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-8-9-19-16-15(17(4,5)21-18(16,6)7)12-20-10-13(2)14(3)11-20/h13-16,19H,8-12H2,1-7H3.
What are the key properties of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine is sourced from PubChem (CID 79914809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).