(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine

C12H22N2O2 — CID 115302425

IUPAC(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H22N2O2/c13-10-1-4-14(8-10)11-2-5-16-12(7-11)3-6-15-9-12/h10-11H,1-9,13H2/t10-,11?,12?/m0/s1
InChIKeyHNCXILGBOAHFMU-UNXYVOJBSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds1

About (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine

(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine (PubChem CID 115302425) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
PubChem CID115302425
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C12H22N2O2/c13-10-1-4-14(8-10)11-2-5-16-12(7-11)3-6-15-9-12/h10-11H,1-9,13H2/t10-,11?,12?/m0/s1
InChIKeyHNCXILGBOAHFMU-UNXYVOJBSA-N
XLogP0.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
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
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
8-(2,6-dioxaspiro[4.5]decan-9-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 79902000
(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
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide
CID 79905548
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine (CID 115302425) is (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine is N[C@H]1CCN(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine?
The InChIKey is HNCXILGBOAHFMU-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-1-4-14(8-10)11-2-5-16-12(7-11)3-6-15-9-12/h10-11H,1-9,13H2/t10-,11?,12?/m0/s1.
What are the key properties of (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine?
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine has a molecular weight of 226.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115302425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).