3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine

C9H22N2O — CID 171838408

IUPAC3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOCCN
InChIInChI=1S/C9H22N2O/c1-3-6-11(2)7-4-8-12-9-5-10/h3-10H2,1-2H3
InChIKeySTESEJZWASJDIE-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds8

About 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine

3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine (PubChem CID 171838408) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine
PubChem CID171838408
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCCOCCN
InChIInChI=1S/C9H22N2O/c1-3-6-11(2)7-4-8-12-9-5-10/h3-10H2,1-2H3
InChIKeySTESEJZWASJDIE-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
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

3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
CID 167156587
N'-[3-(2-methoxyethoxy)propyl]-N'-propylethane-1,2-diamine
CID 103409202
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine (CID 171838408) is 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine is CCCN(C)CCCOCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine?
The InChIKey is STESEJZWASJDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-6-11(2)7-4-8-12-9-5-10/h3-10H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine?
3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 171838408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).