3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C13H19N — CID 130041054

IUPAC3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2cccc(C(C)C)c2CN1
InChIInChI=1S/C13H19N/c1-9(2)12-6-4-5-11-7-10(3)14-8-13(11)12/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyUXRMYRVBGNNHRA-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.84
Rot. Bonds1

About 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 130041054) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID130041054
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2cccc(C(C)C)c2CN1
InChIInChI=1S/C13H19N/c1-9(2)12-6-4-5-11-7-10(3)14-8-13(11)12/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyUXRMYRVBGNNHRA-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 130041054) is 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2cccc(C(C)C)c2CN1.
What is the InChIKey of 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UXRMYRVBGNNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)12-6-4-5-11-7-10(3)14-8-13(11)12/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 130041054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).