[4-(diethylamino)cyclohexyl] acetate

C12H23NO2 — CID 174440980

IUPAC[4-(diethylamino)cyclohexyl] acetate
SMILESCCN(CC)C1CCC(OC(C)=O)CC1
InChIInChI=1S/C12H23NO2/c1-4-13(5-2)11-6-8-12(9-7-11)15-10(3)14/h11-12H,4-9H2,1-3H3
InChIKeyYCOKDLJQODGUOJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds4

About [4-(diethylamino)cyclohexyl] acetate

[4-(diethylamino)cyclohexyl] acetate (PubChem CID 174440980) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [4-(diethylamino)cyclohexyl] acetate.

Molecular Properties

Compound Name[4-(diethylamino)cyclohexyl] acetate
PubChem CID174440980
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[4-(diethylamino)cyclohexyl] acetate
SMILESCCN(CC)C1CCC(OC(C)=O)CC1
InChIInChI=1S/C12H23NO2/c1-4-13(5-2)11-6-8-12(9-7-11)15-10(3)14/h11-12H,4-9H2,1-3H3
InChIKeyYCOKDLJQODGUOJ-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)cyclohexyl] acetate?
The IUPAC name of [4-(diethylamino)cyclohexyl] acetate (CID 174440980) is [4-(diethylamino)cyclohexyl] acetate.
What is the SMILES notation for [4-(diethylamino)cyclohexyl] acetate?
The canonical SMILES for [4-(diethylamino)cyclohexyl] acetate is CCN(CC)C1CCC(OC(C)=O)CC1.
What is the InChIKey of [4-(diethylamino)cyclohexyl] acetate?
The InChIKey is YCOKDLJQODGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13(5-2)11-6-8-12(9-7-11)15-10(3)14/h11-12H,4-9H2,1-3H3.
What are the key properties of [4-(diethylamino)cyclohexyl] acetate?
[4-(diethylamino)cyclohexyl] acetate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)cyclohexyl] acetate is sourced from PubChem (CID 174440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).