2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine

C12H27NO2 — CID 28720680

IUPAC2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
SMILESCCC(CC)CNCCCOCCOC
InChIInChI=1S/C12H27NO2/c1-4-12(5-2)11-13-7-6-8-15-10-9-14-3/h12-13H,4-11H2,1-3H3
InChIKeyWIYXEYQWJQFNJM-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.07
Rot. Bonds11

About 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine

2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine (PubChem CID 28720680) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
PubChem CID28720680
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
SMILESCCC(CC)CNCCCOCCOC
InChIInChI=1S/C12H27NO2/c1-4-12(5-2)11-13-7-6-8-15-10-9-14-3/h12-13H,4-11H2,1-3H3
InChIKeyWIYXEYQWJQFNJM-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
CID 106286221
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine (CID 28720680) is 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine is CCC(CC)CNCCCOCCOC.
What is the InChIKey of 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine?
The InChIKey is WIYXEYQWJQFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-12(5-2)11-13-7-6-8-15-10-9-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine?
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.07, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine is sourced from PubChem (CID 28720680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).