N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine

C13H24N2O — CID 79098074

IUPACN-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(CCOC)c1)C(C)C
InChIInChI=1S/C13H24N2O/c1-5-14-13(11(2)3)12-6-7-15(10-12)8-9-16-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3
InChIKeyPVQAUAZNDHAJHU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine

N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79098074) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79098074
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(CCOC)c1)C(C)C
InChIInChI=1S/C13H24N2O/c1-5-14-13(11(2)3)12-6-7-15(10-12)8-9-16-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3
InChIKeyPVQAUAZNDHAJHU-UHFFFAOYSA-N
XLogP2.44
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 113437043
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
CID 79097308
1-[1-(cyclopentylmethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79097227
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine (CID 79098074) is N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine is CCNC(c1ccn(CCOC)c1)C(C)C.
What is the InChIKey of N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is PVQAUAZNDHAJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-14-13(11(2)3)12-6-7-15(10-12)8-9-16-4/h6-7,10-11,13-14H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79098074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).