8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine

C16H22N4 — CID 103138826

IUPAC8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
SMILESCC1CN(c2ccc(N)c3ccncc23)CC1N(C)C
InChIInChI=1S/C16H22N4/c1-11-9-20(10-16(11)19(2)3)15-5-4-14(17)12-6-7-18-8-13(12)15/h4-8,11,16H,9-10,17H2,1-3H3
InChIKeyOCDHDRQRYXPFEB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.20
Rot. Bonds2

About 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine

8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine (PubChem CID 103138826) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine.

Molecular Properties

Compound Name8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
PubChem CID103138826
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine
SMILESCC1CN(c2ccc(N)c3ccncc23)CC1N(C)C
InChIInChI=1S/C16H22N4/c1-11-9-20(10-16(11)19(2)3)15-5-4-14(17)12-6-7-18-8-13(12)15/h4-8,11,16H,9-10,17H2,1-3H3
InChIKeyOCDHDRQRYXPFEB-UHFFFAOYSA-N
XLogP2.20
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
CID 103139285
1-(8-aminoisoquinolin-5-yl)pyrrolidine-3,4-diol
CID 106667448
8-(2,5-dimethylmorpholin-4-yl)isoquinolin-5-amine
CID 103137270
1-(4-amino-2-bromophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465268
1-(2-amino-4,5-difluorophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 112751838
1-(4-amino-2-iodophenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81464187
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
CID 103138674
1-(2-amino-4-fluoro-5-methylphenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 103590608
2-[4-(5-aminoisoquinolin-8-yl)piperazin-1-yl]ethanol
CID 103137236
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 81451106
1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465021

Frequently Asked Questions

What is the IUPAC name of 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine?
The IUPAC name of 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine (CID 103138826) is 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine.
What is the SMILES notation for 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine?
The canonical SMILES for 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine is CC1CN(c2ccc(N)c3ccncc23)CC1N(C)C.
What is the InChIKey of 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine?
The InChIKey is OCDHDRQRYXPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-9-20(10-16(11)19(2)3)15-5-4-14(17)12-6-7-18-8-13(12)15/h4-8,11,16H,9-10,17H2,1-3H3.
What are the key properties of 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine?
8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine has a molecular weight of 270.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]isoquinolin-5-amine is sourced from PubChem (CID 103138826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).