2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C13H24N2O — CID 66397924

IUPAC2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1ccn(C)c1
InChIInChI=1S/C13H24N2O/c1-12(2)5-8-16-9-6-14-10-13-4-7-15(3)11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3
InChIKeyPCFGFVKULQXLLU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.18
Rot. Bonds8

About 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66397924) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID66397924
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1ccn(C)c1
InChIInChI=1S/C13H24N2O/c1-12(2)5-8-16-9-6-14-10-13-4-7-15(3)11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3
InChIKeyPCFGFVKULQXLLU-UHFFFAOYSA-N
XLogP2.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.18
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

5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
2-fluoro-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 130478299
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
2-(3-methylbutoxy)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 63476546
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
tert-butyl N-[4-[(1-methylpyrrol-3-yl)methylamino]butan-2-yl]carbamate
CID 103872031
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 66397924) is 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is CC(C)CCOCCNCc1ccn(C)c1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is PCFGFVKULQXLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)5-8-16-9-6-14-10-13-4-7-15(3)11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66397924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).