3-[3-(2-methoxyethoxy)butoxy]propan-1-amine

C10H23NO3 — CID 152877442

IUPAC3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
SMILESCOCCOC(C)CCOCCCN
InChIInChI=1S/C10H23NO3/c1-10(14-9-8-12-2)4-7-13-6-3-5-11/h10H,3-9,11H2,1-2H3
InChIKeyUARZDFVJPOQSSC-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.79
Rot. Bonds10

About 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine

3-[3-(2-methoxyethoxy)butoxy]propan-1-amine (PubChem CID 152877442) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
PubChem CID152877442
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
SMILESCOCCOC(C)CCOCCCN
InChIInChI=1S/C10H23NO3/c1-10(14-9-8-12-2)4-7-13-6-3-5-11/h10H,3-9,11H2,1-2H3
InChIKeyUARZDFVJPOQSSC-UHFFFAOYSA-N
XLogP0.79
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.79
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

4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
3-(3-aminopropoxy)butan-1-amine
CID 165053672
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
3-[3-(3-aminopropoxy)pentoxy]propan-1-amine
CID 57073090
2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854
3-[2-(4-methoxybutan-2-yloxy)ethoxy]pentan-1-amine
CID 163603842
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
2-[4-(2-aminoethoxy)butan-2-yloxy]ethanol
CID 138577092
3-butan-2-yloxypropan-1-amine
CID 54795719

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine (CID 152877442) is 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine is COCCOC(C)CCOCCCN.
What is the InChIKey of 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine?
The InChIKey is UARZDFVJPOQSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-10(14-9-8-12-2)4-7-13-6-3-5-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine?
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 0.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)butoxy]propan-1-amine is sourced from PubChem (CID 152877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).