1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol

C17H35NO2 — CID 2870541

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyBQVXVLMTOLHEMR-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.31
Rot. Bonds7

About 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol

1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol (PubChem CID 2870541) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol
PubChem CID2870541
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyBQVXVLMTOLHEMR-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol (CID 2870541) is 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)COC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol?
The InChIKey is BQVXVLMTOLHEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h14-16,19H,6-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol?
1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 2870541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).