5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine

C17H23N3O — CID 106540583

IUPAC5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCCN(c1nccc2c(OC)cccc12)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-11-20(13-7-9-18-12-13)17-15-5-4-6-16(21-2)14(15)8-10-19-17/h4-6,8,10,13,18H,3,7,9,11-12H2,1-2H3
InChIKeyNMBRHAVRVRCJKC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds5

About 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine

5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine (PubChem CID 106540583) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
PubChem CID106540583
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
SMILESCCCN(c1nccc2c(OC)cccc12)C1CCNC1
InChIInChI=1S/C17H23N3O/c1-3-11-20(13-7-9-18-12-13)17-15-5-4-6-16(21-2)14(15)8-10-19-17/h4-6,8,10,13,18H,3,7,9,11-12H2,1-2H3
InChIKeyNMBRHAVRVRCJKC-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
N-(2-bromoethyl)-N-cyclobutyl-5-methoxyisoquinolin-1-amine
CID 106543272
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
CID 106541421
N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
CID 106540822
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 106542327
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407
5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-butyl-N-(2-chloroethyl)-5-methoxyisoquinolin-1-amine
CID 106542513

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine (CID 106540583) is 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine is CCCN(c1nccc2c(OC)cccc12)C1CCNC1.
What is the InChIKey of 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
The InChIKey is NMBRHAVRVRCJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-11-20(13-7-9-18-12-13)17-15-5-4-6-16(21-2)14(15)8-10-19-17/h4-6,8,10,13,18H,3,7,9,11-12H2,1-2H3.
What are the key properties of 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine?
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine is sourced from PubChem (CID 106540583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).