N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide

C15H25FN2O — CID 171400507

IUPACN-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)C1CCCCC1F
InChIInChI=1S/C15H25FN2O/c1-11(13-9-5-6-10-14(13)16)17-18-15(19)12-7-3-2-4-8-12/h12-14H,2-10H2,1H3,(H,18,19)/b17-11+
InChIKeyTUJHHPBRWNPDTK-GZTJUZNOSA-N
MW268.38 g/mol
LogP3.59
Rot. Bonds3

About N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide

N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide (PubChem CID 171400507) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide
PubChem CID171400507
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)C1CCCCC1F
InChIInChI=1S/C15H25FN2O/c1-11(13-9-5-6-10-14(13)16)17-18-15(19)12-7-3-2-4-8-12/h12-14H,2-10H2,1H3,(H,18,19)/b17-11+
InChIKeyTUJHHPBRWNPDTK-GZTJUZNOSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Mls003115808
CID 328028
Valeric acid, 2-propyl-, 2-cyclohexylidenehydrazide
CID 217061
4-Cyclohexyl-2,3-diazaspiro(4.5)dec-3-en-1-one
CID 312102
4-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 456814
N'-(4-Methylcyclohexylidene)decanohydrazide
CID 4281495
5-methyl-4-pentyl-2,4-dihydro-3H-pyrazol-3-one
CID 13040301
5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
CID 3045293
N-[(E)-1-cyclohexylethylideneamino]-4-fluorocyclohexane-1-carboxamide
CID 171400387
2-fluoro-N-(heptan-4-ylideneamino)cyclohexane-1-carboxamide
CID 171400395
N-[(Z)-1-(4-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide
CID 171400431
N-[(Z)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-3-fluorocyclohexane-1-carboxamide
CID 171400473
N-[(E)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylideneamino]-2-fluorocyclohexane-1-carboxamide
CID 171400483

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide (CID 171400507) is N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide is C/C(=N\NC(=O)C1CCCCC1)C1CCCCC1F.
What is the InChIKey of N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide?
The InChIKey is TUJHHPBRWNPDTK-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(13-9-5-6-10-14(13)16)17-18-15(19)12-7-3-2-4-8-12/h12-14H,2-10H2,1H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide?
N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide has a molecular weight of 268.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-fluorocyclohexyl)ethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 171400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).