3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine

C14H31NO3 — CID 103406228

IUPAC3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COCCCOCCOC
InChIInChI=1S/C14H31NO3/c1-5-7-15-12-14(2,3)13-18-9-6-8-17-11-10-16-4/h15H,5-13H2,1-4H3
InChIKeyATOCAEOUYJWHGG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.08
Rot. Bonds13

About 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine

3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 103406228) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID103406228
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)COCCCOCCOC
InChIInChI=1S/C14H31NO3/c1-5-7-15-12-14(2,3)13-18-9-6-8-17-11-10-16-4/h15H,5-13H2,1-4H3
InChIKeyATOCAEOUYJWHGG-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.08
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

2,2-dimethyl-3-(2-propoxyethoxy)-N-propylpropan-1-amine
CID 79626272
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
CID 103181128
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine (CID 103406228) is 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)COCCCOCCOC.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is ATOCAEOUYJWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-5-7-15-12-14(2,3)13-18-9-6-8-17-11-10-16-4/h15H,5-13H2,1-4H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine?
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 103406228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).