2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline

C14H19N — CID 59315433

IUPAC2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
SMILESC=C1c2ccccc2CCN1C(C)(C)C
InChIInChI=1S/C14H19N/c1-11-13-8-6-5-7-12(13)9-10-15(11)14(2,3)4/h5-8H,1,9-10H2,2-4H3
InChIKeyOVJIINRJZDZYKM-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.31
Rot. Bonds

About 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline

2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline (PubChem CID 59315433) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
PubChem CID59315433
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
SMILESC=C1c2ccccc2CCN1C(C)(C)C
InChIInChI=1S/C14H19N/c1-11-13-8-6-5-7-12(13)9-10-15(11)14(2,3)4/h5-8H,1,9-10H2,2-4H3
InChIKeyOVJIINRJZDZYKM-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline?
The IUPAC name of 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline (CID 59315433) is 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline.
What is the SMILES notation for 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline?
The canonical SMILES for 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline is C=C1c2ccccc2CCN1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline?
The InChIKey is OVJIINRJZDZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-13-8-6-5-7-12(13)9-10-15(11)14(2,3)4/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline?
2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline is sourced from PubChem (CID 59315433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).