2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

C12H22N2O — CID 66399050

IUPAC2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNCCOCC)c1
InChIInChI=1S/C12H22N2O/c1-3-7-14-8-5-12(11-14)10-13-6-9-15-4-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyBBVQBVSVCWDFNF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds8

About 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66399050) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
PubChem CID66399050
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNCCOCC)c1
InChIInChI=1S/C12H22N2O/c1-3-7-14-8-5-12(11-14)10-13-6-9-15-4-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyBBVQBVSVCWDFNF-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-(2,2-difluoroethoxy)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 103527742
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
6-methylsulfanyl-N-[(1-propylpyrrol-3-yl)methyl]hexan-1-amine
CID 103527657
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (CID 66399050) is 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is CCCn1ccc(CNCCOCC)c1.
What is the InChIKey of 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is BBVQBVSVCWDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-7-14-8-5-12(11-14)10-13-6-9-15-4-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine 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 2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66399050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).