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

C15H24N4 — CID 79097991

IUPACN-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(CCn2ccnc2)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-4-17-15(13(2)3)14-5-7-18(11-14)9-10-19-8-6-16-12-19/h5-8,11-13,15,17H,4,9-10H2,1-3H3
InChIKeyUNBQLQAJLFHRMB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.69
Rot. Bonds7

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

N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79097991) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79097991
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCCNC(c1ccn(CCn2ccnc2)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-4-17-15(13(2)3)14-5-7-18(11-14)9-10-19-8-6-16-12-19/h5-8,11-13,15,17H,4,9-10H2,1-3H3
InChIKeyUNBQLQAJLFHRMB-UHFFFAOYSA-N
XLogP2.69
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(3-imidazol-1-ylpropyl)pyrrol-3-yl]ethanamine
CID 79098674
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
N-ethyl-2-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79097392
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097553
N-ethyl-2-methyl-1-[1-(1,3-thiazol-5-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 112641722
1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
1-[1-(cyclopentylmethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79097227
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 79108960
N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine (CID 79097991) is N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine is CCNC(c1ccn(CCn2ccnc2)c1)C(C)C.
What is the InChIKey of N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is UNBQLQAJLFHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-17-15(13(2)3)14-5-7-18(11-14)9-10-19-8-6-16-12-19/h5-8,11-13,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine?
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79097991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).