2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol

C12H25NO2 — CID 104752525

IUPAC2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-3-4-5-7-13(2)9-12(14)11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyOBKXDSQCKYCWIS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds7

About 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol

2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752525) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752525
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCCCCCN(C)CC(O)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-3-4-5-7-13(2)9-12(14)11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyOBKXDSQCKYCWIS-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
2-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
2-[2-methylpropyl(propan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 104752686
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752525) is 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol is CCCCCN(C)CC(O)C1CCOC1.
What is the InChIKey of 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is OBKXDSQCKYCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-5-7-13(2)9-12(14)11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol?
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).