1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine

C13H24N2O2 — CID 79901731

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H24N2O2/c14-11-1-5-15(10-11)12-2-6-17-13(9-12)3-7-16-8-4-13/h11-12H,1-10,14H2
InChIKeyOSYKVOUQPYYXPF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine (PubChem CID 79901731) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
PubChem CID79901731
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H24N2O2/c14-11-1-5-15(10-11)12-2-6-17-13(9-12)3-7-16-8-4-13/h11-12H,1-10,14H2
InChIKeyOSYKVOUQPYYXPF-UHFFFAOYSA-N
XLogP0.75
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
CID 164651183
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
(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
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine (CID 79901731) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine is NC1CCN(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
The InChIKey is OSYKVOUQPYYXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-1-5-15(10-11)12-2-6-17-13(9-12)3-7-16-8-4-13/h11-12H,1-10,14H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine has a molecular weight of 240.35 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 79901731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).