N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine

C15H19N3 — CID 82572310

IUPACN,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine
SMILESCNc1cnc(N2CCCC2)c2cc(C)ccc12
InChIInChI=1S/C15H19N3/c1-11-5-6-12-13(9-11)15(17-10-14(12)16-2)18-7-3-4-8-18/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeySQNWNSRQGUOGRW-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.19
Rot. Bonds2

About N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine

N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine (PubChem CID 82572310) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine.

Molecular Properties

Compound NameN,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine
PubChem CID82572310
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine
SMILESCNc1cnc(N2CCCC2)c2cc(C)ccc12
InChIInChI=1S/C15H19N3/c1-11-5-6-12-13(9-11)15(17-10-14(12)16-2)18-7-3-4-8-18/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeySQNWNSRQGUOGRW-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The IUPAC name of N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine (CID 82572310) is N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine.
What is the SMILES notation for N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The canonical SMILES for N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine is CNc1cnc(N2CCCC2)c2cc(C)ccc12.
What is the InChIKey of N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
The InChIKey is SQNWNSRQGUOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-5-6-12-13(9-11)15(17-10-14(12)16-2)18-7-3-4-8-18/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine?
N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-1-pyrrolidin-1-ylisoquinolin-4-amine is sourced from PubChem (CID 82572310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).