N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C27H35F2N3O3 — CID 169190956

IUPACN-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.FC1(F)CC2(CC(NC3CCCCC3)C2)C1
InChIInChI=1S/C14H14N2O3.C13H21F2N/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;14-13(15)8-12(9-13)6-11(7-12)16-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10-11,16H,1-9H2
InChIKeyRVSXAHCPCHLCQG-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.24
Rot. Bonds3

About N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 169190956) has the molecular formula C27H35F2N3O3 and a molecular weight of 487.59 g/mol. Its IUPAC name is N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound NameN-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID169190956
Molecular FormulaC27H35F2N3O3
Molecular Weight487.59 g/mol
Exact Mass487.26
IUPAC NameN-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.FC1(F)CC2(CC(NC3CCCCC3)C2)C1
InChIInChI=1S/C14H14N2O3.C13H21F2N/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;14-13(15)8-12(9-13)6-11(7-12)16-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10-11,16H,1-9H2
InChIKeyRVSXAHCPCHLCQG-UHFFFAOYSA-N
XLogP4.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-1-oxothian-4-amine;ethane;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190900
1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190639
CID 169190903
CID 169190903
ethane;N-[(1-methylcyclopropyl)methyl]cyclohexanamine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190823
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[6-(cyclohexylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161477163
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-[[(1R,2S)-2-[(2,2-difluorospiro[2.5]octan-6-yl)amino]cyclohexyl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169067999
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938673
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-[6-[[(1S,6S)-6-(cyclohexylamino)-3-fluorocyclohex-2-en-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169067762
3-[6-[methyl(methylidene)-λ4-sulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177161115

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 169190956) is N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.FC1(F)CC2(CC(NC3CCCCC3)C2)C1.
What is the InChIKey of N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is RVSXAHCPCHLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C13H21F2N/c1-8-2-3-10-9(6-8)7-16(14(10)19)11-4-5-12(17)15-13(11)18;14-13(15)8-12(9-13)6-11(7-12)16-10-4-2-1-3-5-10/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);10-11,16H,1-9H2.
What are the key properties of N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 487.59 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 169190956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).