1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine

C11H22N2O2 — CID 69399739

IUPAC1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine
SMILESCCOC1(N2CCC(N)C2)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(4-7-14-8-5-11)13-6-3-10(12)9-13/h10H,2-9,12H2,1H3
InChIKeyJBGFKXILTYKHOI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds3

About 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine

1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine (PubChem CID 69399739) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine
PubChem CID69399739
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine
SMILESCCOC1(N2CCC(N)C2)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(4-7-14-8-5-11)13-6-3-10(12)9-13/h10H,2-9,12H2,1H3
InChIKeyJBGFKXILTYKHOI-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-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol
CID 130655297
1-[(3-methyloxolan-3-yl)methyl]pyrrolidin-3-amine
CID 131219232
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
4,4-diethoxy-1-methylpiperidin-3-amine
CID 11953520
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975
4-(3-aminoazetidin-1-yl)oxane-4-carbonitrile
CID 121209837
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
ethane;4-ethoxy-4-methyloxane
CID 143599120
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine (CID 69399739) is 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine is CCOC1(N2CCC(N)C2)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine?
The InChIKey is JBGFKXILTYKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-11(4-7-14-8-5-11)13-6-3-10(12)9-13/h10H,2-9,12H2,1H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine?
1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine 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 1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 69399739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).