7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one

C18H26N2O — CID 107001262

IUPAC7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCNC(c1ccc2c(c1)C(=O)NCC2)C1CC1(C)C
InChIInChI=1S/C18H26N2O/c1-4-8-19-16(15-11-18(15,2)3)13-6-5-12-7-9-20-17(21)14(12)10-13/h5-6,10,15-16,19H,4,7-9,11H2,1-3H3,(H,20,21)
InChIKeyVRMAKCSHFWZZFC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.06
Rot. Bonds5

About 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one

7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 107001262) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID107001262
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCNC(c1ccc2c(c1)C(=O)NCC2)C1CC1(C)C
InChIInChI=1S/C18H26N2O/c1-4-8-19-16(15-11-18(15,2)3)13-6-5-12-7-9-20-17(21)14(12)10-13/h5-6,10,15-16,19H,4,7-9,11H2,1-3H3,(H,20,21)
InChIKeyVRMAKCSHFWZZFC-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
8-[3-methyl-1-(propylamino)butyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525742
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001220
7-[methylamino-(2-methylcyclopentyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107177863
7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 106828577
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
7-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 79974749
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
8-[(1-ethylcyclopentyl)-hydroxymethyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526177
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
8-(1-bromopropyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526517

Frequently Asked Questions

What is the IUPAC name of 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 107001262) is 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one is CCCNC(c1ccc2c(c1)C(=O)NCC2)C1CC1(C)C.
What is the InChIKey of 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is VRMAKCSHFWZZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-8-19-16(15-11-18(15,2)3)13-6-5-12-7-9-20-17(21)14(12)10-13/h5-6,10,15-16,19H,4,7-9,11H2,1-3H3,(H,20,21).
What are the key properties of 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 107001262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).