2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine

C14H24N2O — CID 114196122

IUPAC2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine
SMILESC=C(C)CCn1ccc(CNCCOC)c1C
InChIInChI=1S/C14H24N2O/c1-12(2)5-8-16-9-6-14(13(16)3)11-15-7-10-17-4/h6,9,15H,1,5,7-8,10-11H2,2-4H3
InChIKeyUMMJKWOYBWWKOC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.50
Rot. Bonds8

About 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine

2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 114196122) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID114196122
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine
SMILESC=C(C)CCn1ccc(CNCCOC)c1C
InChIInChI=1S/C14H24N2O/c1-12(2)5-8-16-9-6-14(13(16)3)11-15-7-10-17-4/h6,9,15H,1,5,7-8,10-11H2,2-4H3
InChIKeyUMMJKWOYBWWKOC-UHFFFAOYSA-N
XLogP2.50
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine (CID 114196122) is 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine is C=C(C)CCn1ccc(CNCCOC)c1C.
What is the InChIKey of 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is UMMJKWOYBWWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)5-8-16-9-6-14(13(16)3)11-15-7-10-17-4/h6,9,15H,1,5,7-8,10-11H2,2-4H3.
What are the key properties of 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-1-(3-methylbut-3-enyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 114196122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).