N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine

C13H13N3 — CID 12704865

IUPACN,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine
SMILESCN(C)c1nccc2[nH]c3ccccc3c12
InChIInChI=1S/C13H13N3/c1-16(2)13-12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8,15H,1-2H3
InChIKeyRTQJOZZTKQZUBB-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.78
Rot. Bonds1

About N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine

N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine (PubChem CID 12704865) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine
PubChem CID12704865
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine
SMILESCN(C)c1nccc2[nH]c3ccccc3c12
InChIInChI=1S/C13H13N3/c1-16(2)13-12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8,15H,1-2H3
InChIKeyRTQJOZZTKQZUBB-UHFFFAOYSA-N
XLogP2.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine?
The IUPAC name of N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine (CID 12704865) is N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine.
What is the SMILES notation for N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine?
The canonical SMILES for N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine is CN(C)c1nccc2[nH]c3ccccc3c12.
What is the InChIKey of N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine?
The InChIKey is RTQJOZZTKQZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16(2)13-12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8,15H,1-2H3.
What are the key properties of N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine?
N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine has a molecular weight of 211.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5H-pyrido[4,3-b]indol-1-amine is sourced from PubChem (CID 12704865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).