N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C18H26N2O — CID 104558842

IUPACN-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1(C)CCCC(NC(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C18H26N2O/c1-18(2)9-4-6-14(11-18)20-17(21)16-7-3-5-13-12-19-10-8-15(13)16/h3,5,7,14,19H,4,6,8-12H2,1-2H3,(H,20,21)
InChIKeyUJTUMUHFGMZQGS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.03
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558842) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558842
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCC1(C)CCCC(NC(=O)c2cccc3c2CCNC3)C1
InChIInChI=1S/C18H26N2O/c1-18(2)9-4-6-14(11-18)20-17(21)16-7-3-5-13-12-19-10-8-15(13)16/h3,5,7,14,19H,4,6,8-12H2,1-2H3,(H,20,21)
InChIKeyUJTUMUHFGMZQGS-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
N-[(1-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558596
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558804

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558842) is N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is CC1(C)CCCC(NC(=O)c2cccc3c2CCNC3)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is UJTUMUHFGMZQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)9-4-6-14(11-18)20-17(21)16-7-3-5-13-12-19-10-8-15(13)16/h3,5,7,14,19H,4,6,8-12H2,1-2H3,(H,20,21).
What are the key properties of N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).