2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine

C11H22N2O2 — CID 117170111

IUPAC2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
SMILESNCCC1COC(CCN2CCCC2)O1
InChIInChI=1S/C11H22N2O2/c12-5-3-10-9-14-11(15-10)4-8-13-6-1-2-7-13/h10-11H,1-9,12H2
InChIKeySRQMQQYUUPFAOD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds5

About 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117170111) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
PubChem CID117170111
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
SMILESNCCC1COC(CCN2CCCC2)O1
InChIInChI=1S/C11H22N2O2/c12-5-3-10-9-14-11(15-10)4-8-13-6-1-2-7-13/h10-11H,1-9,12H2
InChIKeySRQMQQYUUPFAOD-UHFFFAOYSA-N
XLogP0.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-[2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117170145
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
3-[2-(2-morpholin-4-ylethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117170146
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
2-[2-(1-ethylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168848
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
1-[[(2R,4R)-2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidine
CID 804531
methane;2-piperidin-1-ylethanamine
CID 158303452
1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
CID 141349469

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine (CID 117170111) is 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine is NCCC1COC(CCN2CCCC2)O1.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is SRQMQQYUUPFAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-5-3-10-9-14-11(15-10)4-8-13-6-1-2-7-13/h10-11H,1-9,12H2.
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine?
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 214.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).