2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol

C16H33NO2 — CID 106810329

IUPAC2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
SMILESCCNC(CC)(CO)CCCOC1CCCCC1C
InChIInChI=1S/C16H33NO2/c1-4-16(13-18,17-5-2)11-8-12-19-15-10-7-6-9-14(15)3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyBMDOXAZFIUUDQU-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol

2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol (PubChem CID 106810329) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
PubChem CID106810329
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol
SMILESCCNC(CC)(CO)CCCOC1CCCCC1C
InChIInChI=1S/C16H33NO2/c1-4-16(13-18,17-5-2)11-8-12-19-15-10-7-6-9-14(15)3/h14-15,17-18H,4-13H2,1-3H3
InChIKeyBMDOXAZFIUUDQU-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
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

5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810616
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2,2-dimethyl-5-(2-methylcyclohexyl)oxypentanoic acid
CID 65259711
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
5-butan-2-yloxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810599
N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
CID 62444338
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809327
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol (CID 106810329) is 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol is CCNC(CC)(CO)CCCOC1CCCCC1C.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol?
The InChIKey is BMDOXAZFIUUDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-16(13-18,17-5-2)11-8-12-19-15-10-7-6-9-14(15)3/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol?
2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2-methylcyclohexyl)oxypentan-1-ol is sourced from PubChem (CID 106810329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).