N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine

C17H22N4 — CID 102916726

IUPACN-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(Cc3cncn3CC)c2c1
InChIInChI=1S/C17H22N4/c1-3-18-10-14-5-6-15-7-8-21(17(15)9-14)12-16-11-19-13-20(16)4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3
InChIKeyGORCVCVSRUIBHJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds6

About N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine

N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine (PubChem CID 102916726) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
PubChem CID102916726
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(Cc3cncn3CC)c2c1
InChIInChI=1S/C17H22N4/c1-3-18-10-14-5-6-15-7-8-21(17(15)9-14)12-16-11-19-13-20(16)4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3
InChIKeyGORCVCVSRUIBHJ-UHFFFAOYSA-N
XLogP3.02
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine (CID 102916726) is N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine is CCNCc1ccc2ccn(Cc3cncn3CC)c2c1.
What is the InChIKey of N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine?
The InChIKey is GORCVCVSRUIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-18-10-14-5-6-15-7-8-21(17(15)9-14)12-16-11-19-13-20(16)4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3.
What are the key properties of N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine?
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine is sourced from PubChem (CID 102916726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).