2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine

C11H22N2O2 — CID 117168845

IUPAC2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
SMILESCN1CCCC1C1(C)OCC(CCN)O1
InChIInChI=1S/C11H22N2O2/c1-11(10-4-3-7-13(10)2)14-8-9(15-11)5-6-12/h9-10H,3-8,12H2,1-2H3
InChIKeyBCFBWZQXIKRFIA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds3

About 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine

2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117168845) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
PubChem CID117168845
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
SMILESCN1CCCC1C1(C)OCC(CCN)O1
InChIInChI=1S/C11H22N2O2/c1-11(10-4-3-7-13(10)2)14-8-9(15-11)5-6-12/h9-10H,3-8,12H2,1-2H3
InChIKeyBCFBWZQXIKRFIA-UHFFFAOYSA-N
XLogP0.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168838
[2-(1-ethylpyrrolidin-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168924
2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117169026
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
1-(1-methylpyrrolidin-2-yl)cyclopropan-1-amine
CID 84648581
2-[2-(1-ethylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168848
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine
CID 79862196
2-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79862499
1-(1-methylpyrrolidin-2-yl)cyclohexan-1-amine
CID 115074075
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168937

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine (CID 117168845) is 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine is CN1CCCC1C1(C)OCC(CCN)O1.
What is the InChIKey of 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is BCFBWZQXIKRFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(10-4-3-7-13(10)2)14-8-9(15-11)5-6-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine?
2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 214.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117168845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).