2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H30N2O2 — CID 83033520

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC1(CC)CC(NC(C)C(=O)N2CCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-4-16(5-2)12-14(8-11-20-16)17-13(3)15(19)18-9-6-7-10-18/h13-14,17H,4-12H2,1-3H3
InChIKeyNCRGSPMGMADGCS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 83033520) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID83033520
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC1(CC)CC(NC(C)C(=O)N2CCCC2)CCO1
InChIInChI=1S/C16H30N2O2/c1-4-16(5-2)12-14(8-11-20-16)17-13(3)15(19)18-9-6-7-10-18/h13-14,17H,4-12H2,1-3H3
InChIKeyNCRGSPMGMADGCS-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 83033520) is 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCC1(CC)CC(NC(C)C(=O)N2CCCC2)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NCRGSPMGMADGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-16(5-2)12-14(8-11-20-16)17-13(3)15(19)18-9-6-7-10-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 83033520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).