5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol

C17H35NO2 — CID 106810616

IUPAC5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC1CC(C)CC(C)C1
InChIInChI=1S/C17H35NO2/c1-5-17(13-19,18-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,18-19H,5-13H2,1-4H3
InChIKeyPBVNNGXDNURKLM-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.36
Rot. Bonds9

About 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol

5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106810616) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106810616
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCOC1CC(C)CC(C)C1
InChIInChI=1S/C17H35NO2/c1-5-17(13-19,18-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,18-19H,5-13H2,1-4H3
InChIKeyPBVNNGXDNURKLM-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
CID 106810329
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809028
2-(cyclopropylamino)-5-(3,5-dimethylcyclohexyl)oxy-2-methylpentan-1-ol
CID 64808158
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106810616) is 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCOC1CC(C)CC(C)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is PBVNNGXDNURKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-17(13-19,18-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,18-19H,5-13H2,1-4H3.
What are the key properties of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol?
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106810616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).