dicyclohexylmethyl(trimethyl)azanium

C16H32N+ — CID 140500252

IUPACdicyclohexylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-16H,4-13H2,1-3H3/q+1
InChIKeyXDJYSDNSRYLOON-UHFFFAOYSA-N
MW238.44 g/mol
LogP4.22
Rot. Bonds3

About dicyclohexylmethyl(trimethyl)azanium

dicyclohexylmethyl(trimethyl)azanium (PubChem CID 140500252) has the molecular formula C16H32N+ and a molecular weight of 238.44 g/mol. Its IUPAC name is dicyclohexylmethyl(trimethyl)azanium.

Molecular Properties

Compound Namedicyclohexylmethyl(trimethyl)azanium
PubChem CID140500252
Molecular FormulaC16H32N+
Molecular Weight238.44 g/mol
Exact Mass238.25
IUPAC Namedicyclohexylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H32N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-16H,4-13H2,1-3H3/q+1
InChIKeyXDJYSDNSRYLOON-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,2-tricyclohexylethylcyclohexane
CID 59850833
1-chloroethylcyclododecane
CID 66468842
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
ethane;methane;propan-2-ylcyclohexane
CID 169430642
1-chloro-1-cyclohexyl-N-methylmethanamine
CID 116962166
1,1-dicyclohexylpropane-2,2-diol
CID 141350052
N-(dicyclohexylmethyl)-N-ethylethanamine
CID 10220617
1-bromoethylcyclododecane
CID 66471074
2-deuteriopropan-2-ylcyclohexane
CID 153320252

Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethyl(trimethyl)azanium?
The IUPAC name of dicyclohexylmethyl(trimethyl)azanium (CID 140500252) is dicyclohexylmethyl(trimethyl)azanium.
What is the SMILES notation for dicyclohexylmethyl(trimethyl)azanium?
The canonical SMILES for dicyclohexylmethyl(trimethyl)azanium is C[N+](C)(C)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethyl(trimethyl)azanium?
The InChIKey is XDJYSDNSRYLOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-16H,4-13H2,1-3H3/q+1.
What are the key properties of dicyclohexylmethyl(trimethyl)azanium?
dicyclohexylmethyl(trimethyl)azanium has a molecular weight of 238.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylmethyl(trimethyl)azanium is sourced from PubChem (CID 140500252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).