1-[3-(diethylamino)cyclohexyl]propan-1-one

C13H25NO — CID 57194193

IUPAC1-[3-(diethylamino)cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCCC(N(CC)CC)C1
InChIInChI=1S/C13H25NO/c1-4-13(15)11-8-7-9-12(10-11)14(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyMXEKBVNCRQDWCB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds5

About 1-[3-(diethylamino)cyclohexyl]propan-1-one

1-[3-(diethylamino)cyclohexyl]propan-1-one (PubChem CID 57194193) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3-(diethylamino)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)cyclohexyl]propan-1-one
PubChem CID57194193
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3-(diethylamino)cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCCC(N(CC)CC)C1
InChIInChI=1S/C13H25NO/c1-4-13(15)11-8-7-9-12(10-11)14(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyMXEKBVNCRQDWCB-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)cyclohexyl]propan-1-one?
The IUPAC name of 1-[3-(diethylamino)cyclohexyl]propan-1-one (CID 57194193) is 1-[3-(diethylamino)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)cyclohexyl]propan-1-one?
The canonical SMILES for 1-[3-(diethylamino)cyclohexyl]propan-1-one is CCC(=O)C1CCCC(N(CC)CC)C1.
What is the InChIKey of 1-[3-(diethylamino)cyclohexyl]propan-1-one?
The InChIKey is MXEKBVNCRQDWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(15)11-8-7-9-12(10-11)14(5-2)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[3-(diethylamino)cyclohexyl]propan-1-one?
1-[3-(diethylamino)cyclohexyl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)cyclohexyl]propan-1-one is sourced from PubChem (CID 57194193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).