1-methyl-3,4,5,6-tetrahydroisoquinoline

C10H13N — CID 90885673

IUPAC1-methyl-3,4,5,6-tetrahydroisoquinoline
SMILESCC1=NCCC2=C1C=CCC2
InChIInChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h3,5H,2,4,6-7H2,1H3
InChIKeyPZGOQHWYBHNTKI-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.50
Rot. Bonds

About 1-methyl-3,4,5,6-tetrahydroisoquinoline

1-methyl-3,4,5,6-tetrahydroisoquinoline (PubChem CID 90885673) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-methyl-3,4,5,6-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methyl-3,4,5,6-tetrahydroisoquinoline
PubChem CID90885673
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-methyl-3,4,5,6-tetrahydroisoquinoline
SMILESCC1=NCCC2=C1C=CCC2
InChIInChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h3,5H,2,4,6-7H2,1H3
InChIKeyPZGOQHWYBHNTKI-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
7,8-Dihydro-6-methyl-6h-pyrrolo[2,3-g]quinoline
CID 129706615
3h-Quinoline
CID 22027752
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
4-Methyl-2,3-dihydroquinoline
CID 68274032
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,5,6-tetrahydroisoquinoline?
The IUPAC name of 1-methyl-3,4,5,6-tetrahydroisoquinoline (CID 90885673) is 1-methyl-3,4,5,6-tetrahydroisoquinoline.
What is the SMILES notation for 1-methyl-3,4,5,6-tetrahydroisoquinoline?
The canonical SMILES for 1-methyl-3,4,5,6-tetrahydroisoquinoline is CC1=NCCC2=C1C=CCC2.
What is the InChIKey of 1-methyl-3,4,5,6-tetrahydroisoquinoline?
The InChIKey is PZGOQHWYBHNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 1-methyl-3,4,5,6-tetrahydroisoquinoline?
1-methyl-3,4,5,6-tetrahydroisoquinoline has a molecular weight of 147.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,5,6-tetrahydroisoquinoline is sourced from PubChem (CID 90885673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).