2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine

C16H33N3O — CID 79928949

IUPAC2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine
SMILESCN1CCC(CN(C)CC2C(N)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C16H33N3O/c1-15(2)13(14(17)16(3,4)20-15)11-19(6)10-12-7-8-18(5)9-12/h12-14H,7-11,17H2,1-6H3
InChIKeyFPRYODNDLGZHIS-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.40
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine (PubChem CID 79928949) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine
PubChem CID79928949
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine
SMILESCN1CCC(CN(C)CC2C(N)C(C)(C)OC2(C)C)C1
InChIInChI=1S/C16H33N3O/c1-15(2)13(14(17)16(3,4)20-15)11-19(6)10-12-7-8-18(5)9-12/h12-14H,7-11,17H2,1-6H3
InChIKeyFPRYODNDLGZHIS-UHFFFAOYSA-N
XLogP1.40
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine (CID 79928949) is 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine is CN1CCC(CN(C)CC2C(N)C(C)(C)OC2(C)C)C1.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine?
The InChIKey is FPRYODNDLGZHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2)13(14(17)16(3,4)20-15)11-19(6)10-12-7-8-18(5)9-12/h12-14H,7-11,17H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine has a molecular weight of 283.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79928949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).