2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride

C13H19Cl2N3 — CID 132585352

IUPAC2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H17N3.2ClH/c14-7-5-12-13-10(6-8-15-12)9-3-1-2-4-11(9)16-13;;/h1-4,12,15-16H,5-8,14H2;2*1H
InChIKeyWNZYPFYFVQEPHG-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.55
Rot. Bonds2

About 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride

2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride (PubChem CID 132585352) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
PubChem CID132585352
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCC1NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C13H17N3.2ClH/c14-7-5-12-13-10(6-8-15-12)9-3-1-2-4-11(9)16-13;;/h1-4,12,15-16H,5-8,14H2;2*1H
InChIKeyWNZYPFYFVQEPHG-UHFFFAOYSA-N
XLogP2.55
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
CID 14162516
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
CID 86001661
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
CID 171396484
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 6419924
1-[2-(1-azacycloundec-6-en-1-yl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 74052654
(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 135054905
3-(7-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-1-amine
CID 102365048
(1S)-1-[(4-methylphenyl)sulfinylmethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 100965004
1-[(2-nitrophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15293063
(1R)-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 770530
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride (CID 132585352) is 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride is Cl.Cl.NCCC1NCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride?
The InChIKey is WNZYPFYFVQEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c14-7-5-12-13-10(6-8-15-12)9-3-1-2-4-11(9)16-13;;/h1-4,12,15-16H,5-8,14H2;2*1H.
What are the key properties of 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride?
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 132585352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).