N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H27N3O — CID 65262629

IUPACN-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CNCc2ccccc21)N(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)16(20(3)4)11-19-17(21)15-10-18-9-13-7-5-6-8-14(13)15/h5-8,12,15-16,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyICVVDYKVFQGABK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262629) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262629
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CNCc2ccccc21)N(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)16(20(3)4)11-19-17(21)15-10-18-9-13-7-5-6-8-14(13)15/h5-8,12,15-16,18H,9-11H2,1-4H3,(H,19,21)
InChIKeyICVVDYKVFQGABK-UHFFFAOYSA-N
XLogP1.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262629) is N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(C)C(CNC(=O)C1CNCc2ccccc21)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is ICVVDYKVFQGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)16(20(3)4)11-19-17(21)15-10-18-9-13-7-5-6-8-14(13)15/h5-8,12,15-16,18H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).