(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C12H22N2O2 — CID 115295112

IUPAC(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(9)2)11(15)12(13)3-5-16-6-4-12/h9-10H,3-8,13H2,1-2H3
InChIKeyOZLRTCRKMWTZEJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds1

About (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 115295112) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID115295112
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(N)CCOCC2)CC1C
InChIInChI=1S/C12H22N2O2/c1-9-7-14(8-10(9)2)11(15)12(13)3-5-16-6-4-12/h9-10H,3-8,13H2,1-2H3
InChIKeyOZLRTCRKMWTZEJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 115295112) is (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)C2(N)CCOCC2)CC1C.
What is the InChIKey of (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is OZLRTCRKMWTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-7-14(8-10(9)2)11(15)12(13)3-5-16-6-4-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115295112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).