2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine

C14H26N4O — CID 62581459

IUPAC2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CCn1ccnc1C
InChIInChI=1S/C14H26N4O/c1-13-16-5-8-17(13)9-10-18-7-3-4-14(18)12-15-6-11-19-2/h5,8,14-15H,3-4,6-7,9-12H2,1-2H3
InChIKeyPMNQEEQGWKHWOQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.89
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 62581459) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine
PubChem CID62581459
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CCn1ccnc1C
InChIInChI=1S/C14H26N4O/c1-13-16-5-8-17(13)9-10-18-7-3-4-14(18)12-15-6-11-19-2/h5,8,14-15H,3-4,6-7,9-12H2,1-2H3
InChIKeyPMNQEEQGWKHWOQ-UHFFFAOYSA-N
XLogP0.89
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine (CID 62581459) is 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine is COCCNCC1CCCN1CCn1ccnc1C.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is PMNQEEQGWKHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13-16-5-8-17(13)9-10-18-7-3-4-14(18)12-15-6-11-19-2/h5,8,14-15H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62581459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).