2-isoquinolin-4-ylcyclopentan-1-amine

C14H16N2 — CID 63938433

IUPAC2-isoquinolin-4-ylcyclopentan-1-amine
SMILESNC1CCCC1c1cncc2ccccc12
InChIInChI=1S/C14H16N2/c15-14-7-3-6-12(14)13-9-16-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9,12,14H,3,6-7,15H2
InChIKeyDKVKSDIUGDASKG-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.83
Rot. Bonds1

About 2-isoquinolin-4-ylcyclopentan-1-amine

2-isoquinolin-4-ylcyclopentan-1-amine (PubChem CID 63938433) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-isoquinolin-4-ylcyclopentan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-4-ylcyclopentan-1-amine
PubChem CID63938433
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-isoquinolin-4-ylcyclopentan-1-amine
SMILESNC1CCCC1c1cncc2ccccc12
InChIInChI=1S/C14H16N2/c15-14-7-3-6-12(14)13-9-16-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9,12,14H,3,6-7,15H2
InChIKeyDKVKSDIUGDASKG-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-ylcyclopentan-1-amine?
The IUPAC name of 2-isoquinolin-4-ylcyclopentan-1-amine (CID 63938433) is 2-isoquinolin-4-ylcyclopentan-1-amine.
What is the SMILES notation for 2-isoquinolin-4-ylcyclopentan-1-amine?
The canonical SMILES for 2-isoquinolin-4-ylcyclopentan-1-amine is NC1CCCC1c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-ylcyclopentan-1-amine?
The InChIKey is DKVKSDIUGDASKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-14-7-3-6-12(14)13-9-16-8-10-4-1-2-5-11(10)13/h1-2,4-5,8-9,12,14H,3,6-7,15H2.
What are the key properties of 2-isoquinolin-4-ylcyclopentan-1-amine?
2-isoquinolin-4-ylcyclopentan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-ylcyclopentan-1-amine is sourced from PubChem (CID 63938433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).