2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol

C13H25NO2 — CID 104752635

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CN(CC(O)C1CCOC1)C1CC1
InChIInChI=1S/C13H25NO2/c1-10(2)7-14(12-3-4-12)8-13(15)11-5-6-16-9-11/h10-13,15H,3-9H2,1-2H3
InChIKeyMIYBBKXLRUQGIH-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds6

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol

2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752635) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752635
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCC(C)CN(CC(O)C1CCOC1)C1CC1
InChIInChI=1S/C13H25NO2/c1-10(2)7-14(12-3-4-12)8-13(15)11-5-6-16-9-11/h10-13,15H,3-9H2,1-2H3
InChIKeyMIYBBKXLRUQGIH-UHFFFAOYSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104753020
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752635) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol is CC(C)CN(CC(O)C1CCOC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is MIYBBKXLRUQGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)7-14(12-3-4-12)8-13(15)11-5-6-16-9-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol?
2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).