3-(8-methylisoquinolin-1-yl)propan-1-amine

C13H16N2 — CID 82576542

IUPAC3-(8-methylisoquinolin-1-yl)propan-1-amine
SMILESCc1cccc2ccnc(CCCN)c12
InChIInChI=1S/C13H16N2/c1-10-4-2-5-11-7-9-15-12(13(10)11)6-3-8-14/h2,4-5,7,9H,3,6,8,14H2,1H3
InChIKeyMPRGMUMEQHRRSR-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.43
Rot. Bonds3

About 3-(8-methylisoquinolin-1-yl)propan-1-amine

3-(8-methylisoquinolin-1-yl)propan-1-amine (PubChem CID 82576542) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-(8-methylisoquinolin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(8-methylisoquinolin-1-yl)propan-1-amine
PubChem CID82576542
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3-(8-methylisoquinolin-1-yl)propan-1-amine
SMILESCc1cccc2ccnc(CCCN)c12
InChIInChI=1S/C13H16N2/c1-10-4-2-5-11-7-9-15-12(13(10)11)6-3-8-14/h2,4-5,7,9H,3,6,8,14H2,1H3
InChIKeyMPRGMUMEQHRRSR-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methylisoquinolin-1-yl)propan-1-amine?
The IUPAC name of 3-(8-methylisoquinolin-1-yl)propan-1-amine (CID 82576542) is 3-(8-methylisoquinolin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(8-methylisoquinolin-1-yl)propan-1-amine?
The canonical SMILES for 3-(8-methylisoquinolin-1-yl)propan-1-amine is Cc1cccc2ccnc(CCCN)c12.
What is the InChIKey of 3-(8-methylisoquinolin-1-yl)propan-1-amine?
The InChIKey is MPRGMUMEQHRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-4-2-5-11-7-9-15-12(13(10)11)6-3-8-14/h2,4-5,7,9H,3,6,8,14H2,1H3.
What are the key properties of 3-(8-methylisoquinolin-1-yl)propan-1-amine?
3-(8-methylisoquinolin-1-yl)propan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methylisoquinolin-1-yl)propan-1-amine is sourced from PubChem (CID 82576542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).