1-isoquinolin-4-ylcycloheptan-1-amine

C16H20N2 — CID 63940154

IUPAC1-isoquinolin-4-ylcycloheptan-1-amine
SMILESNC1(c2cncc3ccccc23)CCCCCC1
InChIInChI=1S/C16H20N2/c17-16(9-5-1-2-6-10-16)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,1-2,5-6,9-10,17H2
InChIKeyFPGQBPUSDXPSCU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.74
Rot. Bonds1

About 1-isoquinolin-4-ylcycloheptan-1-amine

1-isoquinolin-4-ylcycloheptan-1-amine (PubChem CID 63940154) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-isoquinolin-4-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-ylcycloheptan-1-amine
PubChem CID63940154
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-isoquinolin-4-ylcycloheptan-1-amine
SMILESNC1(c2cncc3ccccc23)CCCCCC1
InChIInChI=1S/C16H20N2/c17-16(9-5-1-2-6-10-16)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,1-2,5-6,9-10,17H2
InChIKeyFPGQBPUSDXPSCU-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-ylcycloheptan-1-amine?
The IUPAC name of 1-isoquinolin-4-ylcycloheptan-1-amine (CID 63940154) is 1-isoquinolin-4-ylcycloheptan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-ylcycloheptan-1-amine?
The canonical SMILES for 1-isoquinolin-4-ylcycloheptan-1-amine is NC1(c2cncc3ccccc23)CCCCCC1.
What is the InChIKey of 1-isoquinolin-4-ylcycloheptan-1-amine?
The InChIKey is FPGQBPUSDXPSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-16(9-5-1-2-6-10-16)15-12-18-11-13-7-3-4-8-14(13)15/h3-4,7-8,11-12H,1-2,5-6,9-10,17H2.
What are the key properties of 1-isoquinolin-4-ylcycloheptan-1-amine?
1-isoquinolin-4-ylcycloheptan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-ylcycloheptan-1-amine is sourced from PubChem (CID 63940154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).