N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C13H18N2O — CID 82584338

IUPACN,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2c1C(C(=O)N(C)C)CNC2
InChIInChI=1S/C13H18N2O/c1-9-5-4-6-10-7-14-8-11(12(9)10)13(16)15(2)3/h4-6,11,14H,7-8H2,1-3H3
InChIKeyBIPLAFZXLOKKHX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.27
Rot. Bonds1

About N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82584338) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82584338
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2c1C(C(=O)N(C)C)CNC2
InChIInChI=1S/C13H18N2O/c1-9-5-4-6-10-7-14-8-11(12(9)10)13(16)15(2)3/h4-6,11,14H,7-8H2,1-3H3
InChIKeyBIPLAFZXLOKKHX-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82584338) is N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1cccc2c1C(C(=O)N(C)C)CNC2.
What is the InChIKey of N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is BIPLAFZXLOKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-4-6-10-7-14-8-11(12(9)10)13(16)15(2)3/h4-6,11,14H,7-8H2,1-3H3.
What are the key properties of N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82584338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).