1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine

C16H21N3 — CID 106321968

IUPAC1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCNCC1(C)CCN(c2nccc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-16(11-17-2)8-10-19(12-16)15-14-6-4-3-5-13(14)7-9-18-15/h3-7,9,17H,8,10-12H2,1-2H3
InChIKeyADQUZFUTDLHRMY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.67
Rot. Bonds3

About 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine

1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 106321968) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID106321968
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCNCC1(C)CCN(c2nccc3ccccc23)C1
InChIInChI=1S/C16H21N3/c1-16(11-17-2)8-10-19(12-16)15-14-6-4-3-5-13(14)7-9-18-15/h3-7,9,17H,8,10-12H2,1-2H3
InChIKeyADQUZFUTDLHRMY-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-methyl-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106321729
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
N-[(4-fluoro-1-isoquinolin-1-ylpiperidin-4-yl)methyl]acetamide
CID 165433026
N-methyl-1-[3-methyl-1-(4-propoxypyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 106321862
1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321819
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
4-isoquinolin-1-ylthiomorpholine
CID 171328602
N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 106321971
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321981
(4aS,8aS)-7-isoquinolin-1-yl-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72930864
1-[1-(2-ethylsulfonylphenyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321793

Frequently Asked Questions

What is the IUPAC name of 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine (CID 106321968) is 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine is CNCC1(C)CCN(c2nccc3ccccc23)C1.
What is the InChIKey of 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is ADQUZFUTDLHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(11-17-2)8-10-19(12-16)15-14-6-4-3-5-13(14)7-9-18-15/h3-7,9,17H,8,10-12H2,1-2H3.
What are the key properties of 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine?
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 106321968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).