2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol

C12H25NO2 — CID 115890653

IUPAC2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
SMILESCC(C)CC(C)NCC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-9(2)6-10(3)13-7-12(14)11-4-5-15-8-11/h9-14H,4-8H2,1-3H3
InChIKeyOFFSEBIHCUMNBE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds6

About 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol

2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol (PubChem CID 115890653) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
PubChem CID115890653
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
SMILESCC(C)CC(C)NCC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-9(2)6-10(3)13-7-12(14)11-4-5-15-8-11/h9-14H,4-8H2,1-3H3
InChIKeyOFFSEBIHCUMNBE-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(1-cyclopropyl-2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 115890629
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
CID 115907653
2-[(2-ethylcyclopentyl)amino]-1-(oxolan-3-yl)ethanol
CID 115890660
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
CID 61002881
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752635
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol (CID 115890653) is 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol is CC(C)CC(C)NCC(O)C1CCOC1.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol?
The InChIKey is OFFSEBIHCUMNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-10(3)13-7-12(14)11-4-5-15-8-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol?
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115890653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).