1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine

C17H22N4 — CID 102917901

IUPAC1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CCc3nccn3C)c2c1
InChIInChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-5-8-21(16(15)12-14)9-6-17-19-7-10-20(17)2/h3-5,7-8,10,12-13H,6,9,11,18H2,1-2H3
InChIKeyUASLOYNDCWHHOC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.51
Rot. Bonds5

About 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine

1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine (PubChem CID 102917901) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
PubChem CID102917901
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(CCc3nccn3C)c2c1
InChIInChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-5-8-21(16(15)12-14)9-6-17-19-7-10-20(17)2/h3-5,7-8,10,12-13H,6,9,11,18H2,1-2H3
InChIKeyUASLOYNDCWHHOC-UHFFFAOYSA-N
XLogP2.51
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
CID 102916816
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
CID 114528940
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530092
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-6-yl]methanamine
CID 102916378
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine (CID 102917901) is 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine is CC(N)Cc1ccc2ccn(CCc3nccn3C)c2c1.
What is the InChIKey of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine?
The InChIKey is UASLOYNDCWHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13(18)11-14-3-4-15-5-8-21(16(15)12-14)9-6-17-19-7-10-20(17)2/h3-5,7-8,10,12-13H,6,9,11,18H2,1-2H3.
What are the key properties of 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine?
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine is sourced from PubChem (CID 102917901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).