N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine

C15H19N3O — CID 82572627

IUPACN-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
SMILESCNc1cccc2c(OCC3CCCN3)nccc12
InChIInChI=1S/C15H19N3O/c1-16-14-6-2-5-13-12(14)7-9-18-15(13)19-10-11-4-3-8-17-11/h2,5-7,9,11,16-17H,3-4,8,10H2,1H3
InChIKeyAXBDRBFUPIXUTB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine

N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine (PubChem CID 82572627) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine.

Molecular Properties

Compound NameN-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
PubChem CID82572627
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
SMILESCNc1cccc2c(OCC3CCCN3)nccc12
InChIInChI=1S/C15H19N3O/c1-16-14-6-2-5-13-12(14)7-9-18-15(13)19-10-11-4-3-8-17-11/h2,5-7,9,11,16-17H,3-4,8,10H2,1H3
InChIKeyAXBDRBFUPIXUTB-UHFFFAOYSA-N
XLogP2.41
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
CID 82572626
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
8-chloro-1-(pyrrolidin-2-ylmethoxy)isoquinoline
CID 82569796
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62347787
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
3-chloro-4-methoxy-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 156847857
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine?
The IUPAC name of N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine (CID 82572627) is N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine.
What is the SMILES notation for N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine?
The canonical SMILES for N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine is CNc1cccc2c(OCC3CCCN3)nccc12.
What is the InChIKey of N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine?
The InChIKey is AXBDRBFUPIXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-14-6-2-5-13-12(14)7-9-18-15(13)19-10-11-4-3-8-17-11/h2,5-7,9,11,16-17H,3-4,8,10H2,1H3.
What are the key properties of N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine?
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine is sourced from PubChem (CID 82572627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).