1-cyclohexyl-3-(diethylamino)propan-2-one

C13H25NO — CID 70507258

IUPAC1-cyclohexyl-3-(diethylamino)propan-2-one
SMILESCCN(CC)CC(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-14(4-2)11-13(15)10-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeySXAXPQHMQSYJLZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds6

About 1-cyclohexyl-3-(diethylamino)propan-2-one

1-cyclohexyl-3-(diethylamino)propan-2-one (PubChem CID 70507258) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diethylamino)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(diethylamino)propan-2-one
PubChem CID70507258
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-3-(diethylamino)propan-2-one
SMILESCCN(CC)CC(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-14(4-2)11-13(15)10-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeySXAXPQHMQSYJLZ-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-cyclohexyl-3-(diethylamino)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(diethylamino)propan-2-one (CID 70507258) is 1-cyclohexyl-3-(diethylamino)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(diethylamino)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(diethylamino)propan-2-one is CCN(CC)CC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(diethylamino)propan-2-one?
The InChIKey is SXAXPQHMQSYJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14(4-2)11-13(15)10-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(diethylamino)propan-2-one?
1-cyclohexyl-3-(diethylamino)propan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diethylamino)propan-2-one is sourced from PubChem (CID 70507258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).