N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine

C15H32N2O3 — CID 104565137

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
SMILESCCCCOCCOCCOCCN(C)C1CCNC1
InChIInChI=1S/C15H32N2O3/c1-3-4-8-18-10-12-20-13-11-19-9-7-17(2)15-5-6-16-14-15/h15-16H,3-14H2,1-2H3
InChIKeyMHMZWDVJOVNMAB-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.13
Rot. Bonds13

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 104565137) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
PubChem CID104565137
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
SMILESCCCCOCCOCCOCCN(C)C1CCNC1
InChIInChI=1S/C15H32N2O3/c1-3-4-8-18-10-12-20-13-11-19-9-7-17(2)15-5-6-16-14-15/h15-16H,3-14H2,1-2H3
InChIKeyMHMZWDVJOVNMAB-UHFFFAOYSA-N
XLogP1.13
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.13
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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
CID 55173155
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine
CID 63301835
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine (CID 104565137) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine is CCCCOCCOCCOCCN(C)C1CCNC1.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is MHMZWDVJOVNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-3-4-8-18-10-12-20-13-11-19-9-7-17(2)15-5-6-16-14-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 1.13, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 104565137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).