7-methylisoquinolin-1-amine

C10H10N2 — CID 18727905

IUPAC7-methylisoquinolin-1-amine
SMILESCc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3,(H2,11,12)
InChIKeyYXBRMVWSLWTZRS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds

About 7-methylisoquinolin-1-amine

7-methylisoquinolin-1-amine (PubChem CID 18727905) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-methylisoquinolin-1-amine.

Molecular Properties

Compound Name7-methylisoquinolin-1-amine
PubChem CID18727905
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name7-methylisoquinolin-1-amine
SMILESCc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3,(H2,11,12)
InChIKeyYXBRMVWSLWTZRS-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylisoquinolin-1-amine?
The IUPAC name of 7-methylisoquinolin-1-amine (CID 18727905) is 7-methylisoquinolin-1-amine.
What is the SMILES notation for 7-methylisoquinolin-1-amine?
The canonical SMILES for 7-methylisoquinolin-1-amine is Cc1ccc2ccnc(N)c2c1.
What is the InChIKey of 7-methylisoquinolin-1-amine?
The InChIKey is YXBRMVWSLWTZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3,(H2,11,12).
What are the key properties of 7-methylisoquinolin-1-amine?
7-methylisoquinolin-1-amine has a molecular weight of 158.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylisoquinolin-1-amine is sourced from PubChem (CID 18727905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).