3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine

C11H25NO3 — CID 63685704

IUPAC3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
SMILESCCCOCCOCCNCCCOC
InChIInChI=1S/C11H25NO3/c1-3-7-14-10-11-15-9-6-12-5-4-8-13-2/h12H,3-11H2,1-2H3
InChIKeyBOTKBRVXZCIZLW-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.06
Rot. Bonds12

About 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine

3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine (PubChem CID 63685704) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
PubChem CID63685704
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
SMILESCCCOCCOCCNCCCOC
InChIInChI=1S/C11H25NO3/c1-3-7-14-10-11-15-9-6-12-5-4-8-13-2/h12H,3-11H2,1-2H3
InChIKeyBOTKBRVXZCIZLW-UHFFFAOYSA-N
XLogP1.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.06
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-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine (CID 63685704) is 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine is CCCOCCOCCNCCCOC.
What is the InChIKey of 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine?
The InChIKey is BOTKBRVXZCIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-7-14-10-11-15-9-6-12-5-4-8-13-2/h12H,3-11H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine?
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine has a molecular weight of 219.32 g/mol, XLogP of 1.06, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63685704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).