N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine

C13H17N3 — CID 91536918

IUPACN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
SMILESCN(C)C1CCc2[nH]c3cccnc3c2C1
InChIInChI=1S/C13H17N3/c1-16(2)9-5-6-11-10(8-9)13-12(15-11)4-3-7-14-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyQQSGIRYNBJQIGL-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.98
Rot. Bonds1

About N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine

N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine (PubChem CID 91536918) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
PubChem CID91536918
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
SMILESCN(C)C1CCc2[nH]c3cccnc3c2C1
InChIInChI=1S/C13H17N3/c1-16(2)9-5-6-11-10(8-9)13-12(15-11)4-3-7-14-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyQQSGIRYNBJQIGL-UHFFFAOYSA-N
XLogP1.98
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine?
The IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine (CID 91536918) is N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine.
What is the SMILES notation for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine?
The canonical SMILES for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine is CN(C)C1CCc2[nH]c3cccnc3c2C1.
What is the InChIKey of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine?
The InChIKey is QQSGIRYNBJQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(2)9-5-6-11-10(8-9)13-12(15-11)4-3-7-14-13/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine?
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine has a molecular weight of 215.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine is sourced from PubChem (CID 91536918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).