N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine

C16H20N4 — CID 102916703

IUPACN-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(CCn3ccnc3)c2c1
InChIInChI=1S/C16H20N4/c1-2-17-12-14-3-4-15-5-7-20(16(15)11-14)10-9-19-8-6-18-13-19/h3-8,11,13,17H,2,9-10,12H2,1H3
InChIKeyZMFPTFJXGWTSBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.65
Rot. Bonds6

About N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine

N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine (PubChem CID 102916703) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
PubChem CID102916703
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
SMILESCCNCc1ccc2ccn(CCn3ccnc3)c2c1
InChIInChI=1S/C16H20N4/c1-2-17-12-14-3-4-15-5-7-20(16(15)11-14)10-9-19-8-6-18-13-19/h3-8,11,13,17H,2,9-10,12H2,1H3
InChIKeyZMFPTFJXGWTSBY-UHFFFAOYSA-N
XLogP2.65
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
N-[[4-fluoro-3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 107456470
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine (CID 102916703) is N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine is CCNCc1ccc2ccn(CCn3ccnc3)c2c1.
What is the InChIKey of N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine?
The InChIKey is ZMFPTFJXGWTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-17-12-14-3-4-15-5-7-20(16(15)11-14)10-9-19-8-6-18-13-19/h3-8,11,13,17H,2,9-10,12H2,1H3.
What are the key properties of N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine?
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine is sourced from PubChem (CID 102916703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).