4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol

C16H33NO2 — CID 64802334

IUPAC4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOC1CCCCC1CC
InChIInChI=1S/C16H33NO2/c1-4-11-17-16(3,13-18)10-12-19-15-9-7-6-8-14(15)5-2/h14-15,17-18H,4-13H2,1-3H3
InChIKeyGTFANCCUIXMCTH-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds9

About 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol

4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64802334) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64802334
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOC1CCCCC1CC
InChIInChI=1S/C16H33NO2/c1-4-11-17-16(3,13-18)10-12-19-15-9-7-6-8-14(15)5-2/h14-15,17-18H,4-13H2,1-3H3
InChIKeyGTFANCCUIXMCTH-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

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Related Compounds

N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 62444924
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64808104
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64807185
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-(cyclopentylmethylamino)-2-methylpentan-1-ol
CID 115882646
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol (CID 64802334) is 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCOC1CCCCC1CC.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is GTFANCCUIXMCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-11-17-16(3,13-18)10-12-19-15-9-7-6-8-14(15)5-2/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol?
4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-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 4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64802334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).