2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone

C14H26N2O3 — CID 19370847

IUPAC2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCC1(C)OC(CCN)CC(CC(=O)N2CCCC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-11(5-6-15)9-12(19-14)10-13(17)16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3
InChIKeyCIFOLJZKRYAZAV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.26
Rot. Bonds4

About 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone

2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 19370847) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID19370847
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCC1(C)OC(CCN)CC(CC(=O)N2CCCC2)O1
InChIInChI=1S/C14H26N2O3/c1-14(2)18-11(5-6-15)9-12(19-14)10-13(17)16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3
InChIKeyCIFOLJZKRYAZAV-UHFFFAOYSA-N
XLogP1.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19370845
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CID 22415314
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CID 22851142
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CID 22855751
CID 22855751
CID 22855752
CID 22855752
CID 23499821
CID 23499821
CID 23499828
CID 23499828
CID 23499829
CID 23499829
CID 54002510
CID 54002510
CID 54218223
CID 54218223
CID 66841938
CID 66841938

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone (CID 19370847) is 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone is CC1(C)OC(CCN)CC(CC(=O)N2CCCC2)O1.
What is the InChIKey of 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is CIFOLJZKRYAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2)18-11(5-6-15)9-12(19-14)10-13(17)16-7-3-4-8-16/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone?
2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 270.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 19370847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).