N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H28N2O — CID 66469551

IUPACN-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC2CCCCC2N1
InChIInChI=1S/C16H28N2O/c19-16(17-13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2,(H,17,19)
InChIKeyMWWZBVKRNSDTED-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.75
Rot. Bonds2

About N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469551) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469551
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC2CCCCC2N1
InChIInChI=1S/C16H28N2O/c19-16(17-13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2,(H,17,19)
InChIKeyMWWZBVKRNSDTED-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471369
N-(3-methylcyclobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 113467214
N-(1-methylpiperidin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469981
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-(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
(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131065859
N-(thian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313222
N-cyclohexylaziridine-2-carboxamide
CID 142164432
N-(1-acetylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119112186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469551) is N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is O=C(NC1CCCCC1)C1CCC2CCCCC2N1.
What is the InChIKey of N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is MWWZBVKRNSDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(17-13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2,(H,17,19).
What are the key properties of N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).