N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine

C12H22N2O — CID 66406021

IUPACN-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1ccc(CNCCOC)c1
InChIInChI=1S/C12H22N2O/c1-3-4-7-14-8-5-12(11-14)10-13-6-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeySZTICEKQPNCBJN-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds8

About N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine

N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine (PubChem CID 66406021) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
PubChem CID66406021
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
SMILESCCCCn1ccc(CNCCOC)c1
InChIInChI=1S/C12H22N2O/c1-3-4-7-14-8-5-12(11-14)10-13-6-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeySZTICEKQPNCBJN-UHFFFAOYSA-N
XLogP2.02
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
N-[[1-(3-ethylsulfonylpropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406766
2-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
CID 66404406

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine (CID 66406021) is N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine is CCCCn1ccc(CNCCOC)c1.
What is the InChIKey of N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is SZTICEKQPNCBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-7-14-8-5-12(11-14)10-13-6-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine?
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66406021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).