2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium

C13H18NRe- — CID 59218238

IUPAC2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium
SMILESCC(C)(C)N1C[CH-]c2ccccc2C1.[Re]
InChIInChI=1S/C13H18N.Re/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;/h4-8H,9-10H2,1-3H3;/q-1;
InChIKeyRXMMDHOXZLKHSL-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.85
Rot. Bonds

About 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium

2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium (PubChem CID 59218238) has the molecular formula C13H18NRe- and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium.

Molecular Properties

Compound Name2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium
PubChem CID59218238
Molecular FormulaC13H18NRe-
Molecular Weight374.50 g/mol
Exact Mass375.10
IUPAC Name2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium
SMILESCC(C)(C)N1C[CH-]c2ccccc2C1.[Re]
InChIInChI=1S/C13H18N.Re/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;/h4-8H,9-10H2,1-3H3;/q-1;
InChIKeyRXMMDHOXZLKHSL-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 138974200
2-tert-butyl-1,3-dihydro-2-benzazepine
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2-[2-(disulfanyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline
CID 167068168
2-tert-butyl-N-methyl-1,3-dihydroisoindol-4-amine
CID 117006127
10-tert-butyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 166495075
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
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2-tert-butyl-3H-1,2-benzoxazole
CID 86109552
1-tert-butyl-N-phenylazetidin-3-amine
CID 58546809
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium?
The IUPAC name of 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium (CID 59218238) is 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium.
What is the SMILES notation for 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium?
The canonical SMILES for 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium is CC(C)(C)N1C[CH-]c2ccccc2C1.[Re].
What is the InChIKey of 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium?
The InChIKey is RXMMDHOXZLKHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N.Re/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;/h4-8H,9-10H2,1-3H3;/q-1;.
What are the key properties of 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium?
2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium has a molecular weight of 374.50 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4-dihydro-1H-isoquinolin-4-ide;rhenium is sourced from PubChem (CID 59218238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).