1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol

C13H29NO3 — CID 82959902

IUPAC1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
SMILESCCOCCN(CCOCC)CC(O)C(C)C
InChIInChI=1S/C13H29NO3/c1-5-16-9-7-14(8-10-17-6-2)11-13(15)12(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyLSFKLXWROOCYAT-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.38
Rot. Bonds11

About 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol

1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol (PubChem CID 82959902) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
PubChem CID82959902
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol
SMILESCCOCCN(CCOCC)CC(O)C(C)C
InChIInChI=1S/C13H29NO3/c1-5-16-9-7-14(8-10-17-6-2)11-13(15)12(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyLSFKLXWROOCYAT-UHFFFAOYSA-N
XLogP1.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.38
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

1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
1-[bis(2-ethoxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 82952304
1-N,1-N-bis(2-ethoxyethyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 82965564
N',N'-bis(2-ethoxyethyl)-2-(2-methylpropyl)propane-1,3-diamine
CID 82953791
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
CID 57226241
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol (CID 82959902) is 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol is CCOCCN(CCOCC)CC(O)C(C)C.
What is the InChIKey of 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol?
The InChIKey is LSFKLXWROOCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-16-9-7-14(8-10-17-6-2)11-13(15)12(3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol?
1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 1.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyethyl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 82959902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).