N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine

C16H20N4 — CID 82572817

IUPACN-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
SMILESc1cc(NC2CC2)c2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C16H20N4/c1-2-12-6-7-18-16(20-10-8-17-9-11-20)15(12)14(3-1)19-13-4-5-13/h1-3,6-7,13,17,19H,4-5,8-11H2
InChIKeyDXKDWBKSJMJXLE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds3

About N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine

N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine (PubChem CID 82572817) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
PubChem CID82572817
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
SMILESc1cc(NC2CC2)c2c(N3CCNCC3)nccc2c1
InChIInChI=1S/C16H20N4/c1-2-12-6-7-18-16(20-10-8-17-9-11-20)15(12)14(3-1)19-13-4-5-13/h1-3,6-7,13,17,19H,4-5,8-11H2
InChIKeyDXKDWBKSJMJXLE-UHFFFAOYSA-N
XLogP2.22
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine?
The IUPAC name of N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine (CID 82572817) is N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine.
What is the SMILES notation for N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine?
The canonical SMILES for N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine is c1cc(NC2CC2)c2c(N3CCNCC3)nccc2c1.
What is the InChIKey of N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine?
The InChIKey is DXKDWBKSJMJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-12-6-7-18-16(20-10-8-17-9-11-20)15(12)14(3-1)19-13-4-5-13/h1-3,6-7,13,17,19H,4-5,8-11H2.
What are the key properties of N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine?
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine has a molecular weight of 268.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine is sourced from PubChem (CID 82572817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).