2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride

C18H36ClNO — CID 3066149

IUPAC2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCOC1(C2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C18H35NO.ClH/c1-3-19(4-2)15-16-20-18(13-9-6-10-14-18)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKeyPKWYAKQBJWTSDF-UHFFFAOYSA-N
MW317.95 g/mol
LogP5.05
Rot. Bonds7

About 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride

2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride (PubChem CID 3066149) has the molecular formula C18H36ClNO and a molecular weight of 317.95 g/mol. Its IUPAC name is 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride
PubChem CID3066149
Molecular FormulaC18H36ClNO
Molecular Weight317.95 g/mol
Exact Mass317.25
IUPAC Name2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCOC1(C2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C18H35NO.ClH/c1-3-19(4-2)15-16-20-18(13-9-6-10-14-18)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
InChIKeyPKWYAKQBJWTSDF-UHFFFAOYSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dicyclohexylmethoxy)ethyl]-N,N-dimethylamine
CID 11948836
Ethylamine, 2-((1-cyclohexylcyclohexyl)oxy)-N,N-dimethyl-, hydrochloride
CID 58370
Ethanamine, N,N-diethyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-yloxy)-, hydrochloride
CID 210792
Piperidine, 1-(2-((1-cyclohexylcyclohexyl)oxy)ethyl)-, hydrochloride
CID 3025098
2-(dicyclohexylmethoxy)-N,N-dimethylethanamine
CID 845912
2-(1-cyclohexylcyclohexyl)oxy-N,N-dimethylethanamine
CID 58371
2-[4-tert-butyl-1-(cyclohexylmethyl)cyclohexyl]oxy-N,N-dimethylethanamine
CID 382588
1-[2-(1-Cyclohexylcyclohexyl)oxyethyl]piperidine
CID 3025099
2-(1-Adamantyloxy)ethyl-triethylazanium
CID 3041517
2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine
CID 3066150
2-(dicyclohexylmethoxy)-N,N-dimethylethanamine chloride
CID 53346662
N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
CID 58150251

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride (CID 3066149) is 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride is CCN(CC)CCOC1(C2CCCCC2)CCCCC1.Cl.
What is the InChIKey of 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride?
The InChIKey is PKWYAKQBJWTSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.ClH/c1-3-19(4-2)15-16-20-18(13-9-6-10-14-18)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H.
What are the key properties of 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride?
2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride has a molecular weight of 317.95 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 3066149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).