2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine

C13H27NO3 — CID 114535299

IUPAC2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC(C)OC)CCOC1C
InChIInChI=1S/C13H27NO3/c1-11(16-4)9-13(5-7-17-12(13)2)10-14-6-8-15-3/h11-12,14H,5-10H2,1-4H3
InChIKeyKQNOHHJCXQYQSJ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds8

About 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine

2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine (PubChem CID 114535299) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
PubChem CID114535299
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
SMILESCOCCNCC1(CC(C)OC)CCOC1C
InChIInChI=1S/C13H27NO3/c1-11(16-4)9-13(5-7-17-12(13)2)10-14-6-8-15-3/h11-12,14H,5-10H2,1-4H3
InChIKeyKQNOHHJCXQYQSJ-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
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-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 105408569
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535212
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535272
N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510178
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751
N-(4-methoxybutan-2-yl)-2,3-dimethyloxolan-3-amine
CID 103581330
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine (CID 114535299) is 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine is COCCNCC1(CC(C)OC)CCOC1C.
What is the InChIKey of 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine?
The InChIKey is KQNOHHJCXQYQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(16-4)9-13(5-7-17-12(13)2)10-14-6-8-15-3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine?
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 114535299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).