6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride

C15H23ClN2O — CID 21092218

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
SMILESCl.NC(=O)CCCCCN1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O.ClH/c16-15(18)8-2-1-5-10-17-11-9-13-6-3-4-7-14(13)12-17;/h3-4,6-7H,1-2,5,8-12H2,(H2,16,18);1H
InChIKeyNPIKRPXHAXNEHJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.51
Rot. Bonds6

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride

6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride (PubChem CID 21092218) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
PubChem CID21092218
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
SMILESCl.NC(=O)CCCCCN1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O.ClH/c16-15(18)8-2-1-5-10-17-11-9-13-6-3-4-7-14(13)12-17;/h3-4,6-7H,1-2,5,8-12H2,(H2,16,18);1H
InChIKeyNPIKRPXHAXNEHJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride (CID 21092218) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride is Cl.NC(=O)CCCCCN1CCc2ccccc2C1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride?
The InChIKey is NPIKRPXHAXNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c16-15(18)8-2-1-5-10-17-11-9-13-6-3-4-7-14(13)12-17;/h3-4,6-7H,1-2,5,8-12H2,(H2,16,18);1H.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride?
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride is sourced from PubChem (CID 21092218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).