3-methyl-1,4,5,6,7,8-hexahydroisoquinoline

C10H15N — CID 23558738

IUPAC3-methyl-1,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1=NCC2=C(CCCC2)C1
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H2,1H3
InChIKeyQFRGWIXMDWEPDC-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.72
Rot. Bonds

About 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline

3-methyl-1,4,5,6,7,8-hexahydroisoquinoline (PubChem CID 23558738) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-1,4,5,6,7,8-hexahydroisoquinoline
PubChem CID23558738
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-methyl-1,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1=NCC2=C(CCCC2)C1
InChIInChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H2,1H3
InChIKeyQFRGWIXMDWEPDC-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,4,6,7,8-Hexahydroquinoline
CID 10986285
3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 23558740
3,4,5,6,7,8-Hexahydroquinoline
CID 53627927
1,4,5,6,7,8-Hexahydroisoquinoline
CID 90733336
ethane;3-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyridine
CID 90760061
Ethane;3-methyl-1,4,5,6,7,8-hexahydroisoquinoline
CID 91492234
5,10-Dimethyl-2,3,4,7,8,9-hexahydropyrido[2,3-g]quinoline
CID 122416984
3-Methyl-3,4,5,6,7,8-hexahydroisoquinoline
CID 123354626
4-methyl-3,5,6,7-tetrahydro-2H-indole
CID 123665372
1-Ethyl-3,4,7,8-tetrahydro-2,6-naphthyridine
CID 123901375
(4aR)-3-methyl-1,4,4a,5,6,7-hexahydroisoquinoline
CID 131972037
Ethane;3,4,5,6,7,8-hexahydroquinoline
CID 142548961

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline?
The IUPAC name of 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline (CID 23558738) is 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline.
What is the SMILES notation for 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline?
The canonical SMILES for 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline is CC1=NCC2=C(CCCC2)C1.
What is the InChIKey of 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline?
The InChIKey is QFRGWIXMDWEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H2,1H3.
What are the key properties of 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline?
3-methyl-1,4,5,6,7,8-hexahydroisoquinoline has a molecular weight of 149.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,5,6,7,8-hexahydroisoquinoline is sourced from PubChem (CID 23558738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).