N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine

C14H15N3 — CID 116985827

IUPACN-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
SMILESCCNCc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H15N3/c1-2-15-8-10-3-4-13-11(7-10)12-9-16-6-5-14(12)17-13/h3-7,9,15,17H,2,8H2,1H3
InChIKeyFRNUQHQFPXANCW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.83
Rot. Bonds3

About N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine

N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine (PubChem CID 116985827) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
PubChem CID116985827
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC NameN-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
SMILESCCNCc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H15N3/c1-2-15-8-10-3-4-13-11(7-10)12-9-16-6-5-14(12)17-13/h3-7,9,15,17H,2,8H2,1H3
InChIKeyFRNUQHQFPXANCW-UHFFFAOYSA-N
XLogP2.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine?
The IUPAC name of N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine (CID 116985827) is N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine.
What is the SMILES notation for N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine?
The canonical SMILES for N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine is CCNCc1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine?
The InChIKey is FRNUQHQFPXANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-15-8-10-3-4-13-11(7-10)12-9-16-6-5-14(12)17-13/h3-7,9,15,17H,2,8H2,1H3.
What are the key properties of N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine?
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine is sourced from PubChem (CID 116985827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).