N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine

C16H16N6 — CID 22411322

IUPACN-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine
SMILESCCNc1c[nH]c2ccc(Cn3cnc4ncncc43)cc12
InChIInChI=1S/C16H16N6/c1-2-18-14-6-19-13-4-3-11(5-12(13)14)8-22-10-21-16-15(22)7-17-9-20-16/h3-7,9-10,18-19H,2,8H2,1H3
InChIKeyAABYLDSFRMFTPO-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine

N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine (PubChem CID 22411322) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine
PubChem CID22411322
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine
SMILESCCNc1c[nH]c2ccc(Cn3cnc4ncncc43)cc12
InChIInChI=1S/C16H16N6/c1-2-18-14-6-19-13-4-3-11(5-12(13)14)8-22-10-21-16-15(22)7-17-9-20-16/h3-7,9-10,18-19H,2,8H2,1H3
InChIKeyAABYLDSFRMFTPO-UHFFFAOYSA-N
XLogP2.79
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine?
The IUPAC name of N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine (CID 22411322) is N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine.
What is the SMILES notation for N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine?
The canonical SMILES for N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine is CCNc1c[nH]c2ccc(Cn3cnc4ncncc43)cc12.
What is the InChIKey of N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine?
The InChIKey is AABYLDSFRMFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-2-18-14-6-19-13-4-3-11(5-12(13)14)8-22-10-21-16-15(22)7-17-9-20-16/h3-7,9-10,18-19H,2,8H2,1H3.
What are the key properties of N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine?
N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine has a molecular weight of 292.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine is sourced from PubChem (CID 22411322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).