1-isoquinolin-8-ylcyclohexan-1-amine

C15H18N2 — CID 103143187

IUPAC1-isoquinolin-8-ylcyclohexan-1-amine
SMILESNC1(c2cccc3ccncc23)CCCCC1
InChIInChI=1S/C15H18N2/c16-15(8-2-1-3-9-15)14-6-4-5-12-7-10-17-11-13(12)14/h4-7,10-11H,1-3,8-9,16H2
InChIKeyZGLBQBBVNUHTCV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.35
Rot. Bonds1

About 1-isoquinolin-8-ylcyclohexan-1-amine

1-isoquinolin-8-ylcyclohexan-1-amine (PubChem CID 103143187) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-isoquinolin-8-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-ylcyclohexan-1-amine
PubChem CID103143187
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-isoquinolin-8-ylcyclohexan-1-amine
SMILESNC1(c2cccc3ccncc23)CCCCC1
InChIInChI=1S/C15H18N2/c16-15(8-2-1-3-9-15)14-6-4-5-12-7-10-17-11-13(12)14/h4-7,10-11H,1-3,8-9,16H2
InChIKeyZGLBQBBVNUHTCV-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
Benzo(F)Quinoline
CID 6796
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910
5-Aminoisoquinoline
CID 70766
3-Benzhydrylpyridine
CID 77251
Phenanthridine
CID 9189
Benzo(h)quinoline
CID 9191
3-Methylisoquinoline
CID 14306
1-Isoquinolinamine
CID 73742
4-Benzhydrylpyridine
CID 77252

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylcyclohexan-1-amine?
The IUPAC name of 1-isoquinolin-8-ylcyclohexan-1-amine (CID 103143187) is 1-isoquinolin-8-ylcyclohexan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-ylcyclohexan-1-amine?
The canonical SMILES for 1-isoquinolin-8-ylcyclohexan-1-amine is NC1(c2cccc3ccncc23)CCCCC1.
What is the InChIKey of 1-isoquinolin-8-ylcyclohexan-1-amine?
The InChIKey is ZGLBQBBVNUHTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-15(8-2-1-3-9-15)14-6-4-5-12-7-10-17-11-13(12)14/h4-7,10-11H,1-3,8-9,16H2.
What are the key properties of 1-isoquinolin-8-ylcyclohexan-1-amine?
1-isoquinolin-8-ylcyclohexan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylcyclohexan-1-amine is sourced from PubChem (CID 103143187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).