N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C17H24N2O — CID 110489103

IUPACN-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C17H24N2O/c1-12-4-2-3-5-16(12)19-17(20)14-6-7-15-11-18-9-8-13(15)10-14/h6-7,10,12,16,18H,2-5,8-9,11H2,1H3,(H,19,20)
InChIKeyVBRFTGCYRPAHSJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.64
Rot. Bonds2

About N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 110489103) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID110489103
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2c(c1)CCNC2
InChIInChI=1S/C17H24N2O/c1-12-4-2-3-5-16(12)19-17(20)14-6-7-15-11-18-9-8-13(15)10-14/h6-7,10,12,16,18H,2-5,8-9,11H2,1H3,(H,19,20)
InChIKeyVBRFTGCYRPAHSJ-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 107221690
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
N-(2-methylcyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711889
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 110489103) is N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is CC1CCCCC1NC(=O)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is VBRFTGCYRPAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-4-2-3-5-16(12)19-17(20)14-6-7-15-11-18-9-8-13(15)10-14/h6-7,10,12,16,18H,2-5,8-9,11H2,1H3,(H,19,20).
What are the key properties of N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 110489103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).