cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium

C17H24NO+ — CID 56979431

IUPACcyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium
SMILESCc1ccc([N+](C=O)(C2CCCCC2)C2CC2)cc1
InChIInChI=1S/C17H24NO/c1-14-7-9-16(10-8-14)18(13-19,17-11-12-17)15-5-3-2-4-6-15/h7-10,13,15,17H,2-6,11-12H2,1H3/q+1
InChIKeyGFBVCWVZZGDJBT-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.95
Rot. Bonds4

About cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium

cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium (PubChem CID 56979431) has the molecular formula C17H24NO+ and a molecular weight of 258.38 g/mol. Its IUPAC name is cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium.

Molecular Properties

Compound Namecyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium
PubChem CID56979431
Molecular FormulaC17H24NO+
Molecular Weight258.38 g/mol
Exact Mass258.19
IUPAC Namecyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium
SMILESCc1ccc([N+](C=O)(C2CCCCC2)C2CC2)cc1
InChIInChI=1S/C17H24NO/c1-14-7-9-16(10-8-14)18(13-19,17-11-12-17)15-5-3-2-4-6-15/h7-10,13,15,17H,2-6,11-12H2,1H3/q+1
InChIKeyGFBVCWVZZGDJBT-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl-ethyl-formyl-(4-methylphenyl)azanium
CID 57222584
CID 70358660
CID 70358660
cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron
CID 171034940
N-(cyclohexylmethyl)-1-(4-methylphenyl)methanimine
CID 102444433
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
CID 19365403
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
1-(2,2-dicyclohexylethenyl)-4-methylbenzene
CID 175049807
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
cyclohexyl-(4-methylphenyl)phosphane
CID 21096698

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium?
The IUPAC name of cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium (CID 56979431) is cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium.
What is the SMILES notation for cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium?
The canonical SMILES for cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium is Cc1ccc([N+](C=O)(C2CCCCC2)C2CC2)cc1.
What is the InChIKey of cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium?
The InChIKey is GFBVCWVZZGDJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO/c1-14-7-9-16(10-8-14)18(13-19,17-11-12-17)15-5-3-2-4-6-15/h7-10,13,15,17H,2-6,11-12H2,1H3/q+1.
What are the key properties of cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium?
cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium has a molecular weight of 258.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-cyclopropyl-formyl-(4-methylphenyl)azanium is sourced from PubChem (CID 56979431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).