3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol

C15H33NO4 — CID 104562724

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCCCOCCOCCOCCNCC(C)(C)CO
InChIInChI=1S/C15H33NO4/c1-4-5-7-18-9-11-20-12-10-19-8-6-16-13-15(2,3)14-17/h16-17H,4-14H2,1-3H3
InChIKeyYFERHLHHEXEBMK-UHFFFAOYSA-N
MW291.43 g/mol
LogP1.44
Rot. Bonds15

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol

3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 104562724) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID104562724
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCCCOCCOCCOCCNCC(C)(C)CO
InChIInChI=1S/C15H33NO4/c1-4-5-7-18-9-11-20-12-10-19-8-6-16-13-15(2,3)14-17/h16-17H,4-14H2,1-3H3
InChIKeyYFERHLHHEXEBMK-UHFFFAOYSA-N
XLogP1.44
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
N-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]-2,2-dimethylbutan-1-amine
CID 167242553
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
3-(4-methoxybutylamino)-2,2-dimethylpropan-1-ol
CID 81410944
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol (CID 104562724) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol is CCCCOCCOCCOCCNCC(C)(C)CO.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is YFERHLHHEXEBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-4-5-7-18-9-11-20-12-10-19-8-6-16-13-15(2,3)14-17/h16-17H,4-14H2,1-3H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 1.44, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 104562724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).