N-ethyl-9H-pyrido[3,4-b]indol-3-amine

C13H13N3 — CID 13450926

IUPACN-ethyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCCNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H13N3/c1-2-14-13-7-10-9-5-3-4-6-11(9)16-12(10)8-15-13/h3-8,16H,2H2,1H3,(H,14,15)
InChIKeyAANHPEPPBKKLLX-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.15
Rot. Bonds2

About N-ethyl-9H-pyrido[3,4-b]indol-3-amine

N-ethyl-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 13450926) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-ethyl-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-ethyl-9H-pyrido[3,4-b]indol-3-amine
PubChem CID13450926
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCCNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H13N3/c1-2-14-13-7-10-9-5-3-4-6-11(9)16-12(10)8-15-13/h3-8,16H,2H2,1H3,(H,14,15)
InChIKeyAANHPEPPBKKLLX-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-ethyl-9H-pyrido[3,4-b]indol-3-amine (CID 13450926) is N-ethyl-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-ethyl-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-ethyl-9H-pyrido[3,4-b]indol-3-amine is CCNc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-ethyl-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is AANHPEPPBKKLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-14-13-7-10-9-5-3-4-6-11(9)16-12(10)8-15-13/h3-8,16H,2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-9H-pyrido[3,4-b]indol-3-amine?
N-ethyl-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 211.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 13450926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).