cyclohexyl-bis(2-methylpropyl)-propylazanium

C17H36N+ — CID 87935404

IUPACcyclohexyl-bis(2-methylpropyl)-propylazanium
SMILESCCC[N+](CC(C)C)(CC(C)C)C1CCCCC1
InChIInChI=1S/C17H36N/c1-6-12-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h15-17H,6-14H2,1-5H3/q+1
InChIKeyDWTXBZDSQMYBOC-UHFFFAOYSA-N
MW254.48 g/mol
LogP4.86
Rot. Bonds7

About cyclohexyl-bis(2-methylpropyl)-propylazanium

cyclohexyl-bis(2-methylpropyl)-propylazanium (PubChem CID 87935404) has the molecular formula C17H36N+ and a molecular weight of 254.48 g/mol. Its IUPAC name is cyclohexyl-bis(2-methylpropyl)-propylazanium.

Molecular Properties

Compound Namecyclohexyl-bis(2-methylpropyl)-propylazanium
PubChem CID87935404
Molecular FormulaC17H36N+
Molecular Weight254.48 g/mol
Exact Mass254.28
IUPAC Namecyclohexyl-bis(2-methylpropyl)-propylazanium
SMILESCCC[N+](CC(C)C)(CC(C)C)C1CCCCC1
InChIInChI=1S/C17H36N/c1-6-12-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h15-17H,6-14H2,1-5H3/q+1
InChIKeyDWTXBZDSQMYBOC-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.48
LogP ≤ 54.86
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

cyclohexyl-dipropyl-tetradecylazanium
CID 14671689
cyclohexyl-hexyl-bis(2-methylpropyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87935682
CID 159556097
CID 159556097
cyclohexyl(triethyl)azanium;hydroiodide
CID 126960224
dibutyl-cyclohexyl-(4-hydroxybutyl)azanium hydroxide
CID 159690202
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614
cyclododecyl-dimethyl-nonylazanium
CID 175529320
N-heptadecyl-N-methylcyclohexanamine oxide
CID 122613241
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
cyclopentyl-diethyl-methylazanium
CID 153152970

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-bis(2-methylpropyl)-propylazanium?
The IUPAC name of cyclohexyl-bis(2-methylpropyl)-propylazanium (CID 87935404) is cyclohexyl-bis(2-methylpropyl)-propylazanium.
What is the SMILES notation for cyclohexyl-bis(2-methylpropyl)-propylazanium?
The canonical SMILES for cyclohexyl-bis(2-methylpropyl)-propylazanium is CCC[N+](CC(C)C)(CC(C)C)C1CCCCC1.
What is the InChIKey of cyclohexyl-bis(2-methylpropyl)-propylazanium?
The InChIKey is DWTXBZDSQMYBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N/c1-6-12-18(13-15(2)3,14-16(4)5)17-10-8-7-9-11-17/h15-17H,6-14H2,1-5H3/q+1.
What are the key properties of cyclohexyl-bis(2-methylpropyl)-propylazanium?
cyclohexyl-bis(2-methylpropyl)-propylazanium has a molecular weight of 254.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-bis(2-methylpropyl)-propylazanium is sourced from PubChem (CID 87935404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).