1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine

C15H24N4 — CID 79104998

IUPAC1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCn2ccnc2)c1
InChIInChI=1S/C15H24N4/c1-3-6-17-15(4-2)14-5-8-18(12-14)10-11-19-9-7-16-13-19/h5,7-9,12-13,15,17H,3-4,6,10-11H2,1-2H3
InChIKeyJDOASALKOZTDAR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.84
Rot. Bonds8

About 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine

1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine (PubChem CID 79104998) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
PubChem CID79104998
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CCn2ccnc2)c1
InChIInChI=1S/C15H24N4/c1-3-6-17-15(4-2)14-5-8-18(12-14)10-11-19-9-7-16-13-19/h5,7-9,12-13,15,17H,3-4,6,10-11H2,1-2H3
InChIKeyJDOASALKOZTDAR-UHFFFAOYSA-N
XLogP2.84
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
CID 79098674
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine (CID 79104998) is 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccn(CCn2ccnc2)c1.
What is the InChIKey of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine?
The InChIKey is JDOASALKOZTDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-6-17-15(4-2)14-5-8-18(12-14)10-11-19-9-7-16-13-19/h5,7-9,12-13,15,17H,3-4,6,10-11H2,1-2H3.
What are the key properties of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine?
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 79104998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).