4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C16H33NO4 — CID 79914921

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13-14,18H,7-12H2,1-6H3
InChIKeyNIPNCZYCSUQXFW-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.54
Rot. Bonds9

About 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79914921) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79914921
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13-14,18H,7-12H2,1-6H3
InChIKeyNIPNCZYCSUQXFW-UHFFFAOYSA-N
XLogP1.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.54
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

4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929556
4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929226
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79848637
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]oxolan-3-amine
CID 66235507
4-[(dibutylamino)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79933747
[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
CID 112548864
4-[[2-methoxyethyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79934089
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-ethyl-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]cyclohexan-1-amine
CID 62614429
4-[(4-methoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79929054
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79914921) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is COCCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is NIPNCZYCSUQXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13-14,18H,7-12H2,1-6H3.
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 303.44 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).