1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine

C14H26N2O2 — CID 79109268

IUPAC1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(CCOCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-4-5-14(15-2)13-6-7-16(12-13)8-9-18-11-10-17-3/h6-7,12,14-15H,4-5,8-11H2,1-3H3
InChIKeySWFBDIBROXALQK-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.21
Rot. Bonds10

About 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine

1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine (PubChem CID 79109268) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
PubChem CID79109268
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(CCOCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-4-5-14(15-2)13-6-7-16(12-13)8-9-18-11-10-17-3/h6-7,12,14-15H,4-5,8-11H2,1-3H3
InChIKeySWFBDIBROXALQK-UHFFFAOYSA-N
XLogP2.21
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.21
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-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-methyl-1-[1-(2-phenoxyethyl)pyrrol-3-yl]butan-1-amine
CID 79109107
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 106455332
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine (CID 79109268) is 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine is CCCC(NC)c1ccn(CCOCCOC)c1.
What is the InChIKey of 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The InChIKey is SWFBDIBROXALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-14(15-2)13-6-7-16(12-13)8-9-18-11-10-17-3/h6-7,12,14-15H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine?
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 79109268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).