(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21N — CID 59639486

IUPAC(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H21N/c1-14(2,3)9-13-8-11-6-4-5-7-12(11)10-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyJSTXEBLAJMMFKZ-ZDUSSCGKSA-N
MW203.33 g/mol
LogP3.14
Rot. Bonds1

About (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline

(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59639486) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID59639486
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H21N/c1-14(2,3)9-13-8-11-6-4-5-7-12(11)10-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyJSTXEBLAJMMFKZ-ZDUSSCGKSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 59639486) is (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)C[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JSTXEBLAJMMFKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)9-13-8-11-6-4-5-7-12(11)10-15-13/h4-7,13,15H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline?
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59639486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).