N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

C16H33NO3 — CID 103412755

IUPACN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C16H33NO3/c1-14(2)12-17-13-16(7-9-20-15(16)3)6-5-8-19-11-10-18-4/h14-15,17H,5-13H2,1-4H3
InChIKeyXMIHYTUPVZCUMR-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.47
Rot. Bonds11

About N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103412755) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID103412755
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC NameN-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCOCCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C16H33NO3/c1-14(2)12-17-13-16(7-9-20-15(16)3)6-5-8-19-11-10-18-4/h14-15,17H,5-13H2,1-4H3
InChIKeyXMIHYTUPVZCUMR-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.47
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-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methanamine
CID 103412747
2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535061
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 103412755) is N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is COCCOCCCC1(CNCC(C)C)CCOC1C.
What is the InChIKey of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XMIHYTUPVZCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-14(2)12-17-13-16(7-9-20-15(16)3)6-5-8-19-11-10-18-4/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.44 g/mol, XLogP of 2.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103412755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).