2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol

C13H25NO3 — CID 104753034

IUPAC2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
SMILESCN(CCOCC1CC1)CC(O)C1CCOC1
InChIInChI=1S/C13H25NO3/c1-14(5-7-17-9-11-2-3-11)8-13(15)12-4-6-16-10-12/h11-13,15H,2-10H2,1H3
InChIKeyXRNCXWQEWUDRLX-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.74
Rot. Bonds8

About 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol

2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol (PubChem CID 104753034) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
PubChem CID104753034
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
SMILESCN(CCOCC1CC1)CC(O)C1CCOC1
InChIInChI=1S/C13H25NO3/c1-14(5-7-17-9-11-2-3-11)8-13(15)12-4-6-16-10-12/h11-13,15H,2-10H2,1H3
InChIKeyXRNCXWQEWUDRLX-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
2-[butyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752432
2-[methyl(pentyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752525
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
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-[cyclohexyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752424
ethyl 4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-hydroxybutanoate
CID 82769393
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol (CID 104753034) is 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol is CN(CCOCC1CC1)CC(O)C1CCOC1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol?
The InChIKey is XRNCXWQEWUDRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-14(5-7-17-9-11-2-3-11)8-13(15)12-4-6-16-10-12/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol?
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol has a molecular weight of 243.35 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).