1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine

C14H26N2O2 — CID 103411315

IUPAC1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCCOCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(15)13-6-8-16(12-13)7-4-9-18-11-10-17-2/h6,8,12,14H,3-5,7,9-11,15H2,1-2H3
InChIKeyNDJOZASHUTZHKQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds10

About 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine

1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine (PubChem CID 103411315) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
PubChem CID103411315
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCCOCCOC)c1
InChIInChI=1S/C14H26N2O2/c1-3-5-14(15)13-6-8-16(12-13)7-4-9-18-11-10-17-2/h6,8,12,14H,3-5,7,9-11,15H2,1-2H3
InChIKeyNDJOZASHUTZHKQ-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 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 ≤ 52.34
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

1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine
CID 79105663
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
CID 79104518
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108388
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
CID 103410362
cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
CID 103411195
3-[3-(1-aminobutyl)pyrrol-1-yl]propane-1,2-diol
CID 82851108

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine (CID 103411315) is 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(CCCOCCOC)c1.
What is the InChIKey of 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is NDJOZASHUTZHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-14(15)13-6-8-16(12-13)7-4-9-18-11-10-17-2/h6,8,12,14H,3-5,7,9-11,15H2,1-2H3.
What are the key properties of 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine?
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 103411315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).