ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one

C10H22N2O — CID 90880652

IUPACethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC1CNC
InChIInChI=1S/C8H16N2O.C2H6/c1-3-8(11)10-5-4-7(10)6-9-2;1-2/h7,9H,3-6H2,1-2H3;1-2H3
InChIKeyRSJUMPUVUPFLTJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.24
Rot. Bonds3

About ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one

ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one (PubChem CID 90880652) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one
PubChem CID90880652
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC1CNC
InChIInChI=1S/C8H16N2O.C2H6/c1-3-8(11)10-5-4-7(10)6-9-2;1-2/h7,9H,3-6H2,1-2H3;1-2H3
InChIKeyRSJUMPUVUPFLTJ-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one (CID 90880652) is ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one is CC.CCC(=O)N1CCC1CNC.
What is the InChIKey of ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one?
The InChIKey is RSJUMPUVUPFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6/c1-3-8(11)10-5-4-7(10)6-9-2;1-2/h7,9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one?
ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one has a molecular weight of 186.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 90880652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).