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

C14H23N3O — CID 66468991

IUPACN-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC(CC#N)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C14H23N3O/c1-10(8-9-15)16-14(18)13-7-6-11-4-2-3-5-12(11)17-13/h10-13,17H,2-8H2,1H3,(H,16,18)
InChIKeyMDTUJKMTZQRHOR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds3

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

N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66468991) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66468991
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC(CC#N)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C14H23N3O/c1-10(8-9-15)16-14(18)13-7-6-11-4-2-3-5-12(11)17-13/h10-13,17H,2-8H2,1H3,(H,16,18)
InChIKeyMDTUJKMTZQRHOR-UHFFFAOYSA-N
XLogP1.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
CID 66468796
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
N-[1-oxo-1-(propylamino)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470781
N-(5-methylhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579335
N-(2-propan-2-yloxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 104761117
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoate
CID 66470994
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106349918
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870151
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-4-amino-4-oxobutanoic acid
CID 103870283
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)butanoate;hydrochloride
CID 119274284
(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66468991) is N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CC(CC#N)NC(=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is MDTUJKMTZQRHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(8-9-15)16-14(18)13-7-6-11-4-2-3-5-12(11)17-13/h10-13,17H,2-8H2,1H3,(H,16,18).
What are the key properties of N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66468991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).