1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine

C17H22N2 — CID 64752040

IUPAC1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2cccc3cnccc23)C1
InChIInChI=1S/C17H22N2/c1-12-8-13(2)10-17(18,9-12)16-5-3-4-14-11-19-7-6-15(14)16/h3-7,11-13H,8-10,18H2,1-2H3
InChIKeyFRKCTRXVWGWQMO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.84
Rot. Bonds1

About 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine

1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64752040) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine
PubChem CID64752040
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2cccc3cnccc23)C1
InChIInChI=1S/C17H22N2/c1-12-8-13(2)10-17(18,9-12)16-5-3-4-14-11-19-7-6-15(14)16/h3-7,11-13H,8-10,18H2,1-2H3
InChIKeyFRKCTRXVWGWQMO-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
1-isoquinolin-5-yl-4-methylcycloheptan-1-amine
CID 65080207
3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216239
1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
CID 62811614
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
ethane;isoquinolin-5-amine
CID 143675367
3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
CID 106823348
1-isoquinolin-8-ylcyclohexan-1-amine
CID 103143187
2-isoquinolin-8-yl-1,3-dihydroinden-2-amine
CID 103143198
3-isoquinolin-5-yl-5,5-dimethylthian-3-ol
CID 79946733
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
1,3-dimethylimidazolidine;isoquinolin-5-amine
CID 142986059

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine (CID 64752040) is 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N)(c2cccc3cnccc23)C1.
What is the InChIKey of 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is FRKCTRXVWGWQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-8-13(2)10-17(18,9-12)16-5-3-4-14-11-19-7-6-15(14)16/h3-7,11-13H,8-10,18H2,1-2H3.
What are the key properties of 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine?
1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64752040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).