8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine

C16H21N3 — CID 115054300

IUPAC8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine
SMILESCc1cccc2ccnc(NCCC3CCNC3)c12
InChIInChI=1S/C16H21N3/c1-12-3-2-4-14-7-10-19-16(15(12)14)18-9-6-13-5-8-17-11-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyUAJIKTRRNJVNKY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.95
Rot. Bonds4

About 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine

8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine (PubChem CID 115054300) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine
PubChem CID115054300
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine
SMILESCc1cccc2ccnc(NCCC3CCNC3)c12
InChIInChI=1S/C16H21N3/c1-12-3-2-4-14-7-10-19-16(15(12)14)18-9-6-13-5-8-17-11-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyUAJIKTRRNJVNKY-UHFFFAOYSA-N
XLogP2.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-N-(2-piperidin-4-ylethyl)isoquinolin-1-amine
CID 115054301
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
CID 106540594
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978124
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine?
The IUPAC name of 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine (CID 115054300) is 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine.
What is the SMILES notation for 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine?
The canonical SMILES for 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine is Cc1cccc2ccnc(NCCC3CCNC3)c12.
What is the InChIKey of 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine?
The InChIKey is UAJIKTRRNJVNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-2-4-14-7-10-19-16(15(12)14)18-9-6-13-5-8-17-11-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3,(H,18,19).
What are the key properties of 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine?
8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-pyrrolidin-3-ylethyl)isoquinolin-1-amine is sourced from PubChem (CID 115054300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).