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

C14H31NO4 — CID 104566671

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCCOCCOCCOC
InChIInChI=1S/C14H31NO4/c1-4-6-15-13-14(5-2)19-12-11-18-10-9-17-8-7-16-3/h14-15H,4-13H2,1-3H3
InChIKeyBGFQZGJZVLHPHP-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.46
Rot. Bonds15

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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine (PubChem CID 104566671) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
PubChem CID104566671
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine
SMILESCCCNCC(CC)OCCOCCOCCOC
InChIInChI=1S/C14H31NO4/c1-4-6-15-13-14(5-2)19-12-11-18-10-9-17-8-7-16-3/h14-15H,4-13H2,1-3H3
InChIKeyBGFQZGJZVLHPHP-UHFFFAOYSA-N
XLogP1.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylbutan-1-amine
CID 104566817
N-ethyl-2-(2-methoxyethoxy)butan-1-amine
CID 62457499
2-methoxy-N-propylbutan-1-amine
CID 62446369
2-(2-methylpropoxy)-N-propylbutan-1-amine
CID 62443382
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
2-(2-phenoxyethoxy)-N-propylbutan-1-amine
CID 62455802
N-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentan-1-amine
CID 104566629
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
3-methyl-2-(2-propoxyethoxy)-N-propylbutan-1-amine
CID 63685150
2-(2-methylpentoxy)-N-propylbutan-1-amine
CID 103285571

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine (CID 104566671) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine is CCCNCC(CC)OCCOCCOCCOC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine?
The InChIKey is BGFQZGJZVLHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-4-6-15-13-14(5-2)19-12-11-18-10-9-17-8-7-16-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 1.46, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propylbutan-1-amine is sourced from PubChem (CID 104566671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).