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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-ethylbutyl)-2-methylpyrrol-3-yl]methyl]-2-methoxyethanamine
CID 114196120
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]ethanamine
CID 79186206
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 114471622
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
2-methoxy-N-[[4-(3-methylbut-3-enylsulfanyl)phenyl]methyl]ethanamine
CID 114476934
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
CID 79186311
N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63070206
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058

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).