3-[bis(2-ethoxyethyl)amino]oxan-4-ol

C13H27NO4 — CID 82960810

IUPAC3-[bis(2-ethoxyethyl)amino]oxan-4-ol
SMILESCCOCCN(CCOCC)C1COCCC1O
InChIInChI=1S/C13H27NO4/c1-3-16-9-6-14(7-10-17-4-2)12-11-18-8-5-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyQCQOVQAJRUIDOB-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.51
Rot. Bonds9

About 3-[bis(2-ethoxyethyl)amino]oxan-4-ol

3-[bis(2-ethoxyethyl)amino]oxan-4-ol (PubChem CID 82960810) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[bis(2-ethoxyethyl)amino]oxan-4-ol.

Molecular Properties

Compound Name3-[bis(2-ethoxyethyl)amino]oxan-4-ol
PubChem CID82960810
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name3-[bis(2-ethoxyethyl)amino]oxan-4-ol
SMILESCCOCCN(CCOCC)C1COCCC1O
InChIInChI=1S/C13H27NO4/c1-3-16-9-6-14(7-10-17-4-2)12-11-18-8-5-13(12)15/h12-13,15H,3-11H2,1-2H3
InChIKeyQCQOVQAJRUIDOB-UHFFFAOYSA-N
XLogP0.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-methylbutyl)amino]oxan-4-ol
CID 115278519
3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol
CID 63699605
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
CID 63211366
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
3-pentan-3-yloxan-4-ol
CID 106471344
6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63690691
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-ethoxyethyl)amino]oxan-4-ol?
The IUPAC name of 3-[bis(2-ethoxyethyl)amino]oxan-4-ol (CID 82960810) is 3-[bis(2-ethoxyethyl)amino]oxan-4-ol.
What is the SMILES notation for 3-[bis(2-ethoxyethyl)amino]oxan-4-ol?
The canonical SMILES for 3-[bis(2-ethoxyethyl)amino]oxan-4-ol is CCOCCN(CCOCC)C1COCCC1O.
What is the InChIKey of 3-[bis(2-ethoxyethyl)amino]oxan-4-ol?
The InChIKey is QCQOVQAJRUIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-3-16-9-6-14(7-10-17-4-2)12-11-18-8-5-13(12)15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 3-[bis(2-ethoxyethyl)amino]oxan-4-ol?
3-[bis(2-ethoxyethyl)amino]oxan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-ethoxyethyl)amino]oxan-4-ol is sourced from PubChem (CID 82960810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).