1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine

C17H22N2 — CID 103143267

IUPAC1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c1-16(2)9-3-4-10-17(16,18)15-7-5-6-13-8-11-19-12-14(13)15/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyVCLILFXMBOCTLJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.99
Rot. Bonds1

About 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine

1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine (PubChem CID 103143267) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine
PubChem CID103143267
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2ccncc12
InChIInChI=1S/C17H22N2/c1-16(2)9-3-4-10-17(16,18)15-7-5-6-13-8-11-19-12-14(13)15/h5-8,11-12H,3-4,9-10,18H2,1-2H3
InChIKeyVCLILFXMBOCTLJ-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
1-isoquinolin-8-ylcyclopentane-1-carboxylic acid
CID 117355312
4-isoquinolin-8-yloxepan-4-amine
CID 103143260
1-isoquinolin-8-yl-2-methylcyclopentan-1-ol
CID 103142880
2-isoquinolin-8-yl-1,3-dihydroinden-2-amine
CID 103143198
1-isoquinolin-8-ylcyclohex-2-en-1-ol
CID 103143104
1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
CID 103142663
1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 103143064
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920
1,2-di(quinolin-8-yl)cyclohexane-1,2-diamine
CID 175907470
7-isoquinolin-8-yl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956058

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine (CID 103143267) is 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(N)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is VCLILFXMBOCTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-16(2)9-3-4-10-17(16,18)15-7-5-6-13-8-11-19-12-14(13)15/h5-8,11-12H,3-4,9-10,18H2,1-2H3.
What are the key properties of 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine?
1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103143267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).