3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine

C12H28N2O2 — CID 142623061

IUPAC3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCNCCOCCOCCNCCC(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)4-5-14-7-9-16-11-10-15-8-6-13-3/h12-14H,4-11H2,1-3H3
InChIKeyRSCPJQDWBSLHHJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.87
Rot. Bonds12

About 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine

3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine (PubChem CID 142623061) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
PubChem CID142623061
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCNCCOCCOCCNCCC(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2)4-5-14-7-9-16-11-10-15-8-6-13-3/h12-14H,4-11H2,1-3H3
InChIKeyRSCPJQDWBSLHHJ-UHFFFAOYSA-N
XLogP0.87
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-3-methylbutan-1-amine
CID 65024429
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine (CID 142623061) is 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine is CNCCOCCOCCNCCC(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine?
The InChIKey is RSCPJQDWBSLHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2)4-5-14-7-9-16-11-10-15-8-6-13-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine?
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 0.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 142623061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).