(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate

C16H30N2O4 — CID 70379961

IUPAC(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate
SMILESCN(CC1COC(C)(C)O1)C(=O)OC1CC(C)(C)NC1(C)C
InChIInChI=1S/C16H30N2O4/c1-14(2)8-12(15(3,4)17-14)21-13(19)18(7)9-11-10-20-16(5,6)22-11/h11-12,17H,8-10H2,1-7H3
InChIKeyWJYFPBWQADXIGN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.13
Rot. Bonds3

About (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate

(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate (PubChem CID 70379961) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Name(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate
PubChem CID70379961
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate
SMILESCN(CC1COC(C)(C)O1)C(=O)OC1CC(C)(C)NC1(C)C
InChIInChI=1S/C16H30N2O4/c1-14(2)8-12(15(3,4)17-14)21-13(19)18(7)9-11-10-20-16(5,6)22-11/h11-12,17H,8-10H2,1-7H3
InChIKeyWJYFPBWQADXIGN-UHFFFAOYSA-N
XLogP2.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate?
The IUPAC name of (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate (CID 70379961) is (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate?
The canonical SMILES for (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate is CN(CC1COC(C)(C)O1)C(=O)OC1CC(C)(C)NC1(C)C.
What is the InChIKey of (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate?
The InChIKey is WJYFPBWQADXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-14(2)8-12(15(3,4)17-14)21-13(19)18(7)9-11-10-20-16(5,6)22-11/h11-12,17H,8-10H2,1-7H3.
What are the key properties of (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate?
(2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate has a molecular weight of 314.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethylpyrrolidin-3-yl) N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 70379961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).