5-deuteriopentan-2-one;ethanamine

C7H17NO — CID 91303537

IUPAC5-deuteriopentan-2-one;ethanamine
SMILESCCN.[2H]CCCC(C)=O
InChIInChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-2-3/h3-4H2,1-2H3;2-3H2,1H3/i1D;
InChIKeyJUIGLIAOIMWHJN-RWQOXAPSSA-N
MW132.23 g/mol
LogP1.34
Rot. Bonds3

About 5-deuteriopentan-2-one;ethanamine

5-deuteriopentan-2-one;ethanamine (PubChem CID 91303537) has the molecular formula C7H17NO and a molecular weight of 132.23 g/mol. Its IUPAC name is 5-deuteriopentan-2-one;ethanamine.

Molecular Properties

Compound Name5-deuteriopentan-2-one;ethanamine
PubChem CID91303537
Molecular FormulaC7H17NO
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Name5-deuteriopentan-2-one;ethanamine
SMILESCCN.[2H]CCCC(C)=O
InChIInChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-2-3/h3-4H2,1-2H3;2-3H2,1H3/i1D;
InChIKeyJUIGLIAOIMWHJN-RWQOXAPSSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-deuteriopentan-2-one;ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

palladium;pentan-2-one
CID 174766041
pentan-2-one;zinc
CID 88629307
CID 171375174
CID 171375174
CID 158726547
CID 158726547
butane-2,3-dione;pentan-2-one
CID 160941626
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
butan-2-one;ethanamine
CID 160998240
4-deuteriohexan-2-one
CID 59118879
pentan-2-one;propanoic acid
CID 162011313
hexane-2,5-dione
CID 8035
2-methylbutan-2-ol;pentan-2-one
CID 88715177
oxetane;pentan-2-one
CID 159710624

Frequently Asked Questions

What is the IUPAC name of 5-deuteriopentan-2-one;ethanamine?
The IUPAC name of 5-deuteriopentan-2-one;ethanamine (CID 91303537) is 5-deuteriopentan-2-one;ethanamine.
What is the SMILES notation for 5-deuteriopentan-2-one;ethanamine?
The canonical SMILES for 5-deuteriopentan-2-one;ethanamine is CCN.[2H]CCCC(C)=O.
What is the InChIKey of 5-deuteriopentan-2-one;ethanamine?
The InChIKey is JUIGLIAOIMWHJN-RWQOXAPSSA-N. The full InChI is InChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-2-3/h3-4H2,1-2H3;2-3H2,1H3/i1D;.
What are the key properties of 5-deuteriopentan-2-one;ethanamine?
5-deuteriopentan-2-one;ethanamine has a molecular weight of 132.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuteriopentan-2-one;ethanamine is sourced from PubChem (CID 91303537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).