2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

C10H23NO3 — CID 104566817

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCOCCOC
InChIInChI=1S/C10H23NO3/c1-4-10(9-11-2)14-8-7-13-6-5-12-3/h10-11H,4-9H2,1-3H3
InChIKeyNZRUGGZMGCYAKA-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.66
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine

2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (PubChem CID 104566817) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
PubChem CID104566817
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCOCCOC
InChIInChI=1S/C10H23NO3/c1-4-10(9-11-2)14-8-7-13-6-5-12-3/h10-11H,4-9H2,1-3H3
InChIKeyNZRUGGZMGCYAKA-UHFFFAOYSA-N
XLogP0.66
TPSA39.72 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 ≤ 50.66
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-ethoxyethoxy)-N-methylbutan-1-amine
CID 62444508
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
CID 104566671
N-methyl-2-propoxybutan-1-amine
CID 62452056
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-3-methoxy-N-methylpropan-1-amine
CID 103229034
N-ethyl-2-(2-methoxyethoxy)butan-1-amine
CID 62457499
N-methyl-2-(2-propoxyethoxy)pentan-1-amine
CID 83044907
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
CID 115505812
N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
CID 104566629

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine (CID 104566817) is 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is CCC(CNC)OCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
The InChIKey is NZRUGGZMGCYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-4-10(9-11-2)14-8-7-13-6-5-12-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine?
2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 104566817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).