5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine

C10H14N2 — CID 129301418

IUPAC5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine
SMILESCC1(N)C=CC=C2C=NCCC21
InChIInChI=1S/C10H14N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-3,5,7,9H,4,6,11H2,1H3
InChIKeyGXQNFNHXRSPSCX-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.29
Rot. Bonds

About 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine

5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine (PubChem CID 129301418) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine.

Molecular Properties

Compound Name5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine
PubChem CID129301418
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine
SMILESCC1(N)C=CC=C2C=NCCC21
InChIInChI=1S/C10H14N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-3,5,7,9H,4,6,11H2,1H3
InChIKeyGXQNFNHXRSPSCX-UHFFFAOYSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine?
The IUPAC name of 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine (CID 129301418) is 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine.
What is the SMILES notation for 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine?
The canonical SMILES for 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine is CC1(N)C=CC=C2C=NCCC21.
What is the InChIKey of 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine?
The InChIKey is GXQNFNHXRSPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(11)5-2-3-8-7-12-6-4-9(8)10/h2-3,5,7,9H,4,6,11H2,1H3.
What are the key properties of 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine?
5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine has a molecular weight of 162.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,4a-dihydro-3H-isoquinolin-5-amine is sourced from PubChem (CID 129301418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).