1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine

C14H26N2O2 — CID 113360750

IUPAC1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(CC2COC3(CCCC3)O2)C1
InChIInChI=1S/C14H26N2O2/c1-11(15)12-4-7-16(8-12)9-13-10-17-14(18-13)5-2-3-6-14/h11-13H,2-10,15H2,1H3
InChIKeyCZOXYLWQWRLYCU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.34
Rot. Bonds3

About 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine

1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 113360750) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine
PubChem CID113360750
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(CC2COC3(CCCC3)O2)C1
InChIInChI=1S/C14H26N2O2/c1-11(15)12-4-7-16(8-12)9-13-10-17-14(18-13)5-2-3-6-14/h11-13H,2-10,15H2,1H3
InChIKeyCZOXYLWQWRLYCU-UHFFFAOYSA-N
XLogP1.34
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine (CID 113360750) is 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(CC2COC3(CCCC3)O2)C1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is CZOXYLWQWRLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(15)12-4-7-16(8-12)9-13-10-17-14(18-13)5-2-3-6-14/h11-13H,2-10,15H2,1H3.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine?
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 254.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 113360750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).