N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H33NO4 — CID 104566610

IUPACN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCCC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H33NO4/c1-15(2,3)17-13-16(6-8-21-14-16)5-7-19-11-12-20-10-9-18-4/h17H,5-14H2,1-4H3
InChIKeyZFTNZOHAYLKQPB-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.85
Rot. Bonds11

About N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104566610) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104566610
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC NameN-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCOCCC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H33NO4/c1-15(2,3)17-13-16(6-8-21-14-16)5-7-19-11-12-20-10-9-18-4/h17H,5-14H2,1-4H3
InChIKeyZFTNZOHAYLKQPB-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.85
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

2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
CID 62905566
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
2-methyl-N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719036
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methanamine
CID 62717865
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 63635812

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 104566610) is N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is COCCOCCOCCC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZFTNZOHAYLKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-15(2,3)17-13-16(6-8-21-14-16)5-7-19-11-12-20-10-9-18-4/h17H,5-14H2,1-4H3.
What are the key properties of N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.44 g/mol, XLogP of 1.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104566610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).