2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone

C13H26N2O2 — CID 103189879

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)C(C)CN(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(11(2)8-14(3)4)9-13(16)12-6-7-17-10-12/h11-12H,5-10H2,1-4H3
InChIKeyRZPSKTCVSQWCMM-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds7

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone

2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone (PubChem CID 103189879) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone
PubChem CID103189879
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone
SMILESCCN(CC(=O)C1CCOC1)C(C)CN(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(11(2)8-14(3)4)9-13(16)12-6-7-17-10-12/h11-12H,5-10H2,1-4H3
InChIKeyRZPSKTCVSQWCMM-UHFFFAOYSA-N
XLogP0.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone (CID 103189879) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone is CCN(CC(=O)C1CCOC1)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone?
The InChIKey is RZPSKTCVSQWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(11(2)8-14(3)4)9-13(16)12-6-7-17-10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone has a molecular weight of 242.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103189879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).