1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine

C12H22N2O — CID 66406100

IUPAC1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCCCCOCCn1ccc(CNC)c1
InChIInChI=1S/C12H22N2O/c1-3-4-8-15-9-7-14-6-5-12(11-14)10-13-2/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyQQAPMBAVCFQBGA-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds8

About 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66406100) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID66406100
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCCCCOCCn1ccc(CNC)c1
InChIInChI=1S/C12H22N2O/c1-3-4-8-15-9-7-14-6-5-12(11-14)10-13-2/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyQQAPMBAVCFQBGA-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

N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine
CID 66398003
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine (CID 66406100) is 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine is CCCCOCCn1ccc(CNC)c1.
What is the InChIKey of 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is QQAPMBAVCFQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-8-15-9-7-14-6-5-12(11-14)10-13-2/h5-6,11,13H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine 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 1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66406100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).