5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride

C13H20Cl2N2 — CID 146675582

IUPAC5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
SMILESCCN1c2ccccc2C2CNCCC21.Cl.Cl
InChIInChI=1S/C13H18N2.2ClH/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15;;/h3-6,11,13-14H,2,7-9H2,1H3;2*1H
InChIKeyVZHXXYHZTLYVRC-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.82
Rot. Bonds1

About 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride

5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride (PubChem CID 146675582) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
PubChem CID146675582
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
SMILESCCN1c2ccccc2C2CNCCC21.Cl.Cl
InChIInChI=1S/C13H18N2.2ClH/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15;;/h3-6,11,13-14H,2,7-9H2,1H3;2*1H
InChIKeyVZHXXYHZTLYVRC-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 146675583
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675581
5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 18788976
1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
CID 146675585
(10R,15S)-4-ethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302497
(4aS,9bR)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-5-carboxamide
CID 125219355
(4aS,9bS)-2-cyclopropylsulfonyl-5-ethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 125255379
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302498
2-[(4aS,9bR)-6-bromo-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl]acetamide
CID 141339970
8-(2,4-dichlorophenyl)-5-ethyl-6-ethylsulfanyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 10158295
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248
8-(4-chloro-2-methylphenyl)-5-ethyl-6-ethylsulfanyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 142212923

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The IUPAC name of 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride (CID 146675582) is 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.
What is the SMILES notation for 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The canonical SMILES for 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride is CCN1c2ccccc2C2CNCCC21.Cl.Cl.
What is the InChIKey of 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The InChIKey is VZHXXYHZTLYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2ClH/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15;;/h3-6,11,13-14H,2,7-9H2,1H3;2*1H.
What are the key properties of 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride is sourced from PubChem (CID 146675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).