6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride

C22H36ClN3O2 — CID 22158313

IUPAC6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride
SMILESCN(C)CCCCCC(=O)NCCc1c2n(c3ccccc13)CCCC2.Cl.O
InChIInChI=1S/C22H33N3O.ClH.H2O/c1-24(2)16-8-3-4-13-22(26)23-15-14-19-18-10-5-6-11-20(18)25-17-9-7-12-21(19)25;;/h5-6,10-11H,3-4,7-9,12-17H2,1-2H3,(H,23,26);1H;1H2
InChIKeyOSDNNHKMUPPCNE-UHFFFAOYSA-N
MW410.00 g/mol
LogP3.36
Rot. Bonds9

About 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride

6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride (PubChem CID 22158313) has the molecular formula C22H36ClN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride
PubChem CID22158313
Molecular FormulaC22H36ClN3O2
Molecular Weight410.00 g/mol
Exact Mass409.25
IUPAC Name6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride
SMILESCN(C)CCCCCC(=O)NCCc1c2n(c3ccccc13)CCCC2.Cl.O
InChIInChI=1S/C22H33N3O.ClH.H2O/c1-24(2)16-8-3-4-13-22(26)23-15-14-19-18-10-5-6-11-20(18)25-17-9-7-12-21(19)25;;/h5-6,10-11H,3-4,7-9,12-17H2,1-2H3,(H,23,26);1H;1H2
InChIKeyOSDNNHKMUPPCNE-UHFFFAOYSA-N
XLogP3.36
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride?
The IUPAC name of 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride (CID 22158313) is 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride.
What is the SMILES notation for 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride?
The canonical SMILES for 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride is CN(C)CCCCCC(=O)NCCc1c2n(c3ccccc13)CCCC2.Cl.O.
What is the InChIKey of 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride?
The InChIKey is OSDNNHKMUPPCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.ClH.H2O/c1-24(2)16-8-3-4-13-22(26)23-15-14-19-18-10-5-6-11-20(18)25-17-9-7-12-21(19)25;;/h5-6,10-11H,3-4,7-9,12-17H2,1-2H3,(H,23,26);1H;1H2.
What are the key properties of 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride?
6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride has a molecular weight of 410.00 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride is sourced from PubChem (CID 22158313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).