N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine

C16H21N3 — CID 82572761

IUPACN-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine
SMILESCNc1ccc2c(N3CCCC(C)C3)nccc2c1
InChIInChI=1S/C16H21N3/c1-12-4-3-9-19(11-12)16-15-6-5-14(17-2)10-13(15)7-8-18-16/h5-8,10,12,17H,3-4,9,11H2,1-2H3
InChIKeyDYKWYLUGBONDPW-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.51
Rot. Bonds2

About N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine

N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine (PubChem CID 82572761) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine
PubChem CID82572761
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine
SMILESCNc1ccc2c(N3CCCC(C)C3)nccc2c1
InChIInChI=1S/C16H21N3/c1-12-4-3-9-19(11-12)16-15-6-5-14(17-2)10-13(15)7-8-18-16/h5-8,10,12,17H,3-4,9,11H2,1-2H3
InChIKeyDYKWYLUGBONDPW-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-piperidin-1-ylisoquinolin-6-amine
CID 82572751
1-[(3R)-3-aminopyrrolidin-1-yl]-N-but-2-ynylisoquinolin-6-amine
CID 175226518
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
N,4-dimethyl-1-(3-methylpiperidin-1-yl)isoquinolin-5-amine
CID 82572732
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
2-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 102568303

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine?
The IUPAC name of N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine (CID 82572761) is N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine.
What is the SMILES notation for N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine?
The canonical SMILES for N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine is CNc1ccc2c(N3CCCC(C)C3)nccc2c1.
What is the InChIKey of N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine?
The InChIKey is DYKWYLUGBONDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-4-3-9-19(11-12)16-15-6-5-14(17-2)10-13(15)7-8-18-16/h5-8,10,12,17H,3-4,9,11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine?
N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine has a molecular weight of 255.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylpiperidin-1-yl)isoquinolin-6-amine is sourced from PubChem (CID 82572761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).