N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C17H30N2O — CID 66471369

IUPACN-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCC3CCCCC3N2)CC1
InChIInChI=1S/C17H30N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h12-16,19H,2-11H2,1H3,(H,18,20)
InChIKeyOQLNDAIBIRAZDJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.99
Rot. Bonds2

About N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66471369) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66471369
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCC3CCCCC3N2)CC1
InChIInChI=1S/C17H30N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h12-16,19H,2-11H2,1H3,(H,18,20)
InChIKeyOQLNDAIBIRAZDJ-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

N-(3-methylcyclobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 113467214
N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469551
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24711712
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471973
N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469981
N-(4-hydroxycyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24706207
(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217
(2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 10977514
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106188161
3-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoic acid
CID 66471212
N-(1-acetylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119112186
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66471369) is N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CC1CCC(NC(=O)C2CCC3CCCCC3N2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is OQLNDAIBIRAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-6-9-14(10-7-12)18-17(20)16-11-8-13-4-2-3-5-15(13)19-16/h12-16,19H,2-11H2,1H3,(H,18,20).
What are the key properties of N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66471369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).