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

C9H18N2O2 — CID 117168350

IUPAC2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(C2CCNC2)O1
InChIInChI=1S/C9H18N2O2/c10-3-1-8-6-12-9(13-8)7-2-4-11-5-7/h7-9,11H,1-6,10H2
InChIKeySNQMWTFUGQVMIN-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.31
Rot. Bonds3

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

2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 117168350) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine
PubChem CID117168350
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(C2CCNC2)O1
InChIInChI=1S/C9H18N2O2/c10-3-1-8-6-12-9(13-8)7-2-4-11-5-7/h7-9,11H,1-6,10H2
InChIKeySNQMWTFUGQVMIN-UHFFFAOYSA-N
XLogP-0.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168848
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
2-(2-piperidin-2-yl-1,3-dioxolan-4-yl)ethanol
CID 117168940
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
(3S)-3-[(3R)-oxolan-3-yl]pyrrolidine
CID 94398019
3-(oxolan-2-yl)pyrrolidine
CID 79493405
2-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]ethanamine
CID 142994239
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine (CID 117168350) is 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine is NCCC1COC(C2CCNC2)O1.
What is the InChIKey of 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is SNQMWTFUGQVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-3-1-8-6-12-9(13-8)7-2-4-11-5-7/h7-9,11H,1-6,10H2.
What are the key properties of 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine?
2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 186.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 117168350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).