4-isoquinolin-4-ylcyclohexan-1-amine

C15H18N2 — CID 83261369

IUPAC4-isoquinolin-4-ylcyclohexan-1-amine
SMILESNC1CCC(c2cncc3ccccc23)CC1
InChIInChI=1S/C15H18N2/c16-13-7-5-11(6-8-13)15-10-17-9-12-3-1-2-4-14(12)15/h1-4,9-11,13H,5-8,16H2
InChIKeyVCJXCXMWLYFWGC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.22
Rot. Bonds1

About 4-isoquinolin-4-ylcyclohexan-1-amine

4-isoquinolin-4-ylcyclohexan-1-amine (PubChem CID 83261369) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-isoquinolin-4-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-isoquinolin-4-ylcyclohexan-1-amine
PubChem CID83261369
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-isoquinolin-4-ylcyclohexan-1-amine
SMILESNC1CCC(c2cncc3ccccc23)CC1
InChIInChI=1S/C15H18N2/c16-13-7-5-11(6-8-13)15-10-17-9-12-3-1-2-4-14(12)15/h1-4,9-11,13H,5-8,16H2
InChIKeyVCJXCXMWLYFWGC-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-4-ylcyclohexan-1-amine?
The IUPAC name of 4-isoquinolin-4-ylcyclohexan-1-amine (CID 83261369) is 4-isoquinolin-4-ylcyclohexan-1-amine.
What is the SMILES notation for 4-isoquinolin-4-ylcyclohexan-1-amine?
The canonical SMILES for 4-isoquinolin-4-ylcyclohexan-1-amine is NC1CCC(c2cncc3ccccc23)CC1.
What is the InChIKey of 4-isoquinolin-4-ylcyclohexan-1-amine?
The InChIKey is VCJXCXMWLYFWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-13-7-5-11(6-8-13)15-10-17-9-12-3-1-2-4-14(12)15/h1-4,9-11,13H,5-8,16H2.
What are the key properties of 4-isoquinolin-4-ylcyclohexan-1-amine?
4-isoquinolin-4-ylcyclohexan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-4-ylcyclohexan-1-amine is sourced from PubChem (CID 83261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).