(4-cyclohexylphenyl)-trimethylazanium

C15H24N+ — CID 91804676

IUPAC(4-cyclohexylphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H24N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/q+1
InChIKeyNTMAOQDDKJXIAW-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.93
Rot. Bonds2

About (4-cyclohexylphenyl)-trimethylazanium

(4-cyclohexylphenyl)-trimethylazanium (PubChem CID 91804676) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-trimethylazanium.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-trimethylazanium
PubChem CID91804676
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name(4-cyclohexylphenyl)-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H24N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/q+1
InChIKeyNTMAOQDDKJXIAW-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
(4-cyclohexylphenyl)-methylazanide
CID 58832483
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
CID 159076923
CID 159076923
3-(4-cyclohexylphenyl)azetidine;hydrochloride
CID 154791480
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
(4-cyclohexylphenyl) dihydrogen phosphite
CID 20525486
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-trimethylazanium?
The IUPAC name of (4-cyclohexylphenyl)-trimethylazanium (CID 91804676) is (4-cyclohexylphenyl)-trimethylazanium.
What is the SMILES notation for (4-cyclohexylphenyl)-trimethylazanium?
The canonical SMILES for (4-cyclohexylphenyl)-trimethylazanium is C[N+](C)(C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-trimethylazanium?
The InChIKey is NTMAOQDDKJXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3/q+1.
What are the key properties of (4-cyclohexylphenyl)-trimethylazanium?
(4-cyclohexylphenyl)-trimethylazanium has a molecular weight of 218.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-trimethylazanium is sourced from PubChem (CID 91804676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).