N-methylisoquinolin-3-amine

C10H10N2 — CID 24976745

IUPACN-methylisoquinolin-3-amine
SMILESCNc1cc2ccccc2cn1
InChIInChI=1S/C10H10N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyCTCMHNLYKFKJDQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.28
Rot. Bonds1

About N-methylisoquinolin-3-amine

N-methylisoquinolin-3-amine (PubChem CID 24976745) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-methylisoquinolin-3-amine.

Molecular Properties

Compound NameN-methylisoquinolin-3-amine
PubChem CID24976745
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC NameN-methylisoquinolin-3-amine
SMILESCNc1cc2ccccc2cn1
InChIInChI=1S/C10H10N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3,(H,11,12)
InChIKeyCTCMHNLYKFKJDQ-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylisoquinolin-3-amine?
The IUPAC name of N-methylisoquinolin-3-amine (CID 24976745) is N-methylisoquinolin-3-amine.
What is the SMILES notation for N-methylisoquinolin-3-amine?
The canonical SMILES for N-methylisoquinolin-3-amine is CNc1cc2ccccc2cn1.
What is the InChIKey of N-methylisoquinolin-3-amine?
The InChIKey is CTCMHNLYKFKJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-11-10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of N-methylisoquinolin-3-amine?
N-methylisoquinolin-3-amine has a molecular weight of 158.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylisoquinolin-3-amine is sourced from PubChem (CID 24976745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).