2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate

C18H35NO2 — CID 28221

IUPAC2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1
InChIInChI=1S/C18H35NO2/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18/h16H,5-15H2,1-4H3
InChIKeyBHSHHNNBVMXJNZ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.26
Rot. Bonds9

About 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate

2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate (PubChem CID 28221) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate
PubChem CID28221
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1
InChIInChI=1S/C18H35NO2/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18/h16H,5-15H2,1-4H3
InChIKeyBHSHHNNBVMXJNZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate (CID 28221) is 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate is CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate?
The InChIKey is BHSHHNNBVMXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18/h16H,5-15H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate?
2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate has a molecular weight of 297.48 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 28221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).