2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol

C12H25NO2 — CID 115907653

IUPAC2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
SMILESCCCC(C)CNCC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-3-4-10(2)7-13-8-12(14)11-5-6-15-9-11/h10-14H,3-9H2,1-2H3
InChIKeyDLSCZGOQGVGAIG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds7

About 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol

2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol (PubChem CID 115907653) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
PubChem CID115907653
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
SMILESCCCC(C)CNCC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-3-4-10(2)7-13-8-12(14)11-5-6-15-9-11/h10-14H,3-9H2,1-2H3
InChIKeyDLSCZGOQGVGAIG-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653
3-heptan-4-yloxolane
CID 162375259
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
2-[(2-ethylcyclopentyl)amino]-1-(oxolan-3-yl)ethanol
CID 115890660
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-(1-bromobutyl)oxolane
CID 83051784

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol (CID 115907653) is 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol is CCCC(C)CNCC(O)C1CCOC1.
What is the InChIKey of 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol?
The InChIKey is DLSCZGOQGVGAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-10(2)7-13-8-12(14)11-5-6-15-9-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol?
2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115907653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).