N-(1-propylazetidin-3-yl)isoquinolin-6-amine

C15H19N3 — CID 59290573

IUPACN-(1-propylazetidin-3-yl)isoquinolin-6-amine
SMILESCCCN1CC(Nc2ccc3cnccc3c2)C1
InChIInChI=1S/C15H19N3/c1-2-7-18-10-15(11-18)17-14-4-3-13-9-16-6-5-12(13)8-14/h3-6,8-9,15,17H,2,7,10-11H2,1H3
InChIKeyWCTJQYJVMRNGEI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds4

About N-(1-propylazetidin-3-yl)isoquinolin-6-amine

N-(1-propylazetidin-3-yl)isoquinolin-6-amine (PubChem CID 59290573) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1-propylazetidin-3-yl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(1-propylazetidin-3-yl)isoquinolin-6-amine
PubChem CID59290573
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1-propylazetidin-3-yl)isoquinolin-6-amine
SMILESCCCN1CC(Nc2ccc3cnccc3c2)C1
InChIInChI=1S/C15H19N3/c1-2-7-18-10-15(11-18)17-14-4-3-13-9-16-6-5-12(13)8-14/h3-6,8-9,15,17H,2,7,10-11H2,1H3
InChIKeyWCTJQYJVMRNGEI-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylazetidin-3-yl)isoquinolin-6-amine?
The IUPAC name of N-(1-propylazetidin-3-yl)isoquinolin-6-amine (CID 59290573) is N-(1-propylazetidin-3-yl)isoquinolin-6-amine.
What is the SMILES notation for N-(1-propylazetidin-3-yl)isoquinolin-6-amine?
The canonical SMILES for N-(1-propylazetidin-3-yl)isoquinolin-6-amine is CCCN1CC(Nc2ccc3cnccc3c2)C1.
What is the InChIKey of N-(1-propylazetidin-3-yl)isoquinolin-6-amine?
The InChIKey is WCTJQYJVMRNGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-7-18-10-15(11-18)17-14-4-3-13-9-16-6-5-12(13)8-14/h3-6,8-9,15,17H,2,7,10-11H2,1H3.
What are the key properties of N-(1-propylazetidin-3-yl)isoquinolin-6-amine?
N-(1-propylazetidin-3-yl)isoquinolin-6-amine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylazetidin-3-yl)isoquinolin-6-amine is sourced from PubChem (CID 59290573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).