1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine

C13H24N2O3 — CID 104565466

IUPAC1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOCCOCCOC
InChIInChI=1S/C13H24N2O3/c1-14-12-13-4-3-5-15(13)6-7-17-10-11-18-9-8-16-2/h3-5,14H,6-12H2,1-2H3
InChIKeyBICGCXVNIROISO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.89
Rot. Bonds11

About 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine

1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 104565466) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID104565466
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCNCc1cccn1CCOCCOCCOC
InChIInChI=1S/C13H24N2O3/c1-14-12-13-4-3-5-15(13)6-7-17-10-11-18-9-8-16-2/h3-5,14H,6-12H2,1-2H3
InChIKeyBICGCXVNIROISO-UHFFFAOYSA-N
XLogP0.89
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.89
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

1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402405
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 66403693
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963
2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine (CID 104565466) is 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine is CNCc1cccn1CCOCCOCCOC.
What is the InChIKey of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is BICGCXVNIROISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-14-12-13-4-3-5-15(13)6-7-17-10-11-18-9-8-16-2/h3-5,14H,6-12H2,1-2H3.
What are the key properties of 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 256.35 g/mol, XLogP of 0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 104565466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).