N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

C13H27NO3 — CID 55077944

IUPACN-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCC1CCC(CNC(C)(C)C)O1
InChIInChI=1S/C13H27NO3/c1-13(2,3)14-9-11-5-6-12(17-11)10-16-8-7-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyJLOKCZOBRONSSQ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds7

About N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55077944) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID55077944
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCC1CCC(CNC(C)(C)C)O1
InChIInChI=1S/C13H27NO3/c1-13(2,3)14-9-11-5-6-12(17-11)10-16-8-7-15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyJLOKCZOBRONSSQ-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
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

N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459646
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
2-methyl-N-[[5-(oxolan-3-ylmethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62484891
N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460585
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
CID 159269856
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62454144
N-[[5-[(3-methoxy-3-methylbutoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106668088
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 55077944) is N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is COCCOCC1CCC(CNC(C)(C)C)O1.
What is the InChIKey of N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JLOKCZOBRONSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-13(2,3)14-9-11-5-6-12(17-11)10-16-8-7-15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55077944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).