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

C18H15N3 — CID 14146439

IUPACN-benzyl-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
InChIKeyAMHUWPNOAHGUFX-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.33
Rot. Bonds3

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

N-benzyl-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 14146439) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-benzyl-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-benzyl-9H-pyrido[3,4-b]indol-3-amine
PubChem CID14146439
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC NameN-benzyl-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
InChIKeyAMHUWPNOAHGUFX-UHFFFAOYSA-N
XLogP4.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-benzyl-9H-pyrido[3,4-b]indol-3-amine (CID 14146439) is N-benzyl-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-benzyl-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-benzyl-9H-pyrido[3,4-b]indol-3-amine is c1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1.
What is the InChIKey of N-benzyl-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is AMHUWPNOAHGUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20).
What are the key properties of N-benzyl-9H-pyrido[3,4-b]indol-3-amine?
N-benzyl-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 273.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 14146439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).