(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone

C17H24N2O — CID 107181080

IUPAC(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCc2cccc(N)c2C1
InChIInChI=1S/C17H24N2O/c1-17(2)9-4-6-14(17)16(20)19-10-8-12-5-3-7-15(18)13(12)11-19/h3,5,7,14H,4,6,8-11,18H2,1-2H3
InChIKeyCXGMACTZZQCEPZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.98
Rot. Bonds1

About (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107181080) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107181080
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCc2cccc(N)c2C1
InChIInChI=1S/C17H24N2O/c1-17(2)9-4-6-14(17)16(20)19-10-8-12-5-3-7-15(18)13(12)11-19/h3,5,7,14H,4,6,8-11,18H2,1-2H3
InChIKeyCXGMACTZZQCEPZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone with MolForge

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Related Compounds

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107180811
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methylthiolan-2-yl)methanone
CID 114523257
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1,5-dimethylpyrrol-2-yl)methanone
CID 114522696
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 114522729
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107174724
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-3-yl)methanone
CID 103121100
1-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxan-2-yl)ethanone
CID 114523259
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-hydroxyphenyl)methanone
CID 114523200
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone
CID 114523302

Frequently Asked Questions

What is the IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107181080) is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCc2cccc(N)c2C1.
What is the InChIKey of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is CXGMACTZZQCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)9-4-6-14(17)16(20)19-10-8-12-5-3-7-15(18)13(12)11-19/h3,5,7,14H,4,6,8-11,18H2,1-2H3.
What are the key properties of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone?
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107181080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).