1-methylidene-2-pentyl-3,4-dihydroisoquinoline

C15H21N — CID 67896965

IUPAC1-methylidene-2-pentyl-3,4-dihydroisoquinoline
SMILESC=C1c2ccccc2CCN1CCCCC
InChIInChI=1S/C15H21N/c1-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13(16)2/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyFGFZSODCUOPXOD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.71
Rot. Bonds4

About 1-methylidene-2-pentyl-3,4-dihydroisoquinoline

1-methylidene-2-pentyl-3,4-dihydroisoquinoline (PubChem CID 67896965) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methylidene-2-pentyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-methylidene-2-pentyl-3,4-dihydroisoquinoline
PubChem CID67896965
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-methylidene-2-pentyl-3,4-dihydroisoquinoline
SMILESC=C1c2ccccc2CCN1CCCCC
InChIInChI=1S/C15H21N/c1-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13(16)2/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyFGFZSODCUOPXOD-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
1-butyl-2,3-dihydroindole
CID 4167209
2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
CID 59315433
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
2-nonyl-3H-isoindol-1-one
CID 132543397
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
2-octadecyl-3H-isoindol-1-imine
CID 118268270
9H-fluorene;henicosane
CID 174789372
propane;2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 91165098

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-pentyl-3,4-dihydroisoquinoline?
The IUPAC name of 1-methylidene-2-pentyl-3,4-dihydroisoquinoline (CID 67896965) is 1-methylidene-2-pentyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-methylidene-2-pentyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-methylidene-2-pentyl-3,4-dihydroisoquinoline is C=C1c2ccccc2CCN1CCCCC.
What is the InChIKey of 1-methylidene-2-pentyl-3,4-dihydroisoquinoline?
The InChIKey is FGFZSODCUOPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-7-11-16-12-10-14-8-5-6-9-15(14)13(16)2/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 1-methylidene-2-pentyl-3,4-dihydroisoquinoline?
1-methylidene-2-pentyl-3,4-dihydroisoquinoline has a molecular weight of 215.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-pentyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 67896965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).