2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide

C18H26N2O — CID 2853487

IUPAC2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide
SMILESCC(C)CCC(C(N)=O)C1=NC(C)(C)Cc2ccccc21
InChIInChI=1S/C18H26N2O/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21)
InChIKeyQWFJIWANTWCIHT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.35
Rot. Bonds5

About 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide

2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide (PubChem CID 2853487) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide
PubChem CID2853487
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide
SMILESCC(C)CCC(C(N)=O)C1=NC(C)(C)Cc2ccccc21
InChIInChI=1S/C18H26N2O/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21)
InChIKeyQWFJIWANTWCIHT-UHFFFAOYSA-N
XLogP3.35
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
CID 614841
1-(3,3-dimethyl-4H-isoquinolin-1-yl)propan-2-one
CID 2865089
2-(3,3-Dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide
CID 3078422
Spiro[2,6-dihydropyrazolo[4,3-d][3]benzazepine-5,1'-cyclohexane]-3-one
CID 2975233
1-Isoquinolineacetamide, 3,4-dihydro-3,3-dimethyl-alpha-(3-methylbutyl)-, monohydrochloride
CID 2853486
2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl)-2-[(Z)-hydroxyimino]-acetamide
CID 135449505
3,4-Dihydro-1-isoquinolineacetamide hydrochloride
CID 18987007
6-phenyl-4,5-dihydro-3H-pyridin-2-one
CID 44276862
1-Isoquinolineacetamide, 3,4-dihydro-3,3-dimethyl-alpha-(1-methylethyl)-, monohydrochloride
CID 3078419
1-Isoquinolineacetamide, 3,4-dihydro-3,3-dimethyl-alpha-(phenylmethyl)-, monohydrochloride
CID 3078421
N'-(3,4-dihydro-1(2H)-naphthalenylidene)heptanohydrazide
CID 6009298
Marinopyrazinone A
CID 139584122

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide?
The IUPAC name of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide (CID 2853487) is 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide.
What is the SMILES notation for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide?
The canonical SMILES for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide is CC(C)CCC(C(N)=O)C1=NC(C)(C)Cc2ccccc21.
What is the InChIKey of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide?
The InChIKey is QWFJIWANTWCIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21).
What are the key properties of 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide?
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide has a molecular weight of 286.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methylhexanamide is sourced from PubChem (CID 2853487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).