3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine

C16H21N3 — CID 62301035

IUPAC3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
SMILESCN(c1nc(CN)cc2ccccc12)C1CCCC1
InChIInChI=1S/C16H21N3/c1-19(14-7-3-4-8-14)16-15-9-5-2-6-12(15)10-13(11-17)18-16/h2,5-6,9-10,14H,3-4,7-8,11,17H2,1H3
InChIKeyXFZYYPUOSCVBNQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine

3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine (PubChem CID 62301035) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
PubChem CID62301035
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
SMILESCN(c1nc(CN)cc2ccccc12)C1CCCC1
InChIInChI=1S/C16H21N3/c1-19(14-7-3-4-8-14)16-15-9-5-2-6-12(15)10-13(11-17)18-16/h2,5-6,9-10,14H,3-4,7-8,11,17H2,1H3
InChIKeyXFZYYPUOSCVBNQ-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine (CID 62301035) is 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine is CN(c1nc(CN)cc2ccccc12)C1CCCC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
The InChIKey is XFZYYPUOSCVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(14-7-3-4-8-14)16-15-9-5-2-6-12(15)10-13(11-17)18-16/h2,5-6,9-10,14H,3-4,7-8,11,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine?
3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine is sourced from PubChem (CID 62301035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).