6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H24N2O — CID 176701262

IUPAC6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C)C(=O)C1Cc2cc(C(C)(C)C)ccc2CN1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-7-6-11-10-17-14(9-12(11)8-13)15(19)18(4)5/h6-8,14,17H,9-10H2,1-5H3
InChIKeyXRSLOVRDCUNABD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.09
Rot. Bonds1

About 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 176701262) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID176701262
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(C)C(=O)C1Cc2cc(C(C)(C)C)ccc2CN1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-7-6-11-10-17-14(9-12(11)8-13)15(19)18(4)5/h6-8,14,17H,9-10H2,1-5H3
InChIKeyXRSLOVRDCUNABD-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 70073886
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107734305
(3S)-N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896435
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3R)-N-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106934992
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 99908919
methyl (3R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684475
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 176701262) is 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(C)C(=O)C1Cc2cc(C(C)(C)C)ccc2CN1.
What is the InChIKey of 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is XRSLOVRDCUNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)13-7-6-11-10-17-14(9-12(11)8-13)15(19)18(4)5/h6-8,14,17H,9-10H2,1-5H3.
What are the key properties of 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 176701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).