dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium

C25H44N+ — CID 57399303

IUPACdimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium
SMILESCCCCCCCCc1ccc(C2CCC([N+](C)(C)C(C)C)CC2)cc1
InChIInChI=1S/C25H44N/c1-6-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(4,5)21(2)3/h13-16,21,24-25H,6-12,17-20H2,1-5H3/q+1
InChIKeyMMHMNBIZCXRPHS-UHFFFAOYSA-N
MW358.63 g/mol
LogP7.10
Rot. Bonds10

About dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium

dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium (PubChem CID 57399303) has the molecular formula C25H44N+ and a molecular weight of 358.63 g/mol. Its IUPAC name is dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium.

Molecular Properties

Compound Namedimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium
PubChem CID57399303
Molecular FormulaC25H44N+
Molecular Weight358.63 g/mol
Exact Mass358.35
IUPAC Namedimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium
SMILESCCCCCCCCc1ccc(C2CCC([N+](C)(C)C(C)C)CC2)cc1
InChIInChI=1S/C25H44N/c1-6-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(4,5)21(2)3/h13-16,21,24-25H,6-12,17-20H2,1-5H3/q+1
InChIKeyMMHMNBIZCXRPHS-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.63
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-heptyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538933
1-decyl-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539170
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium?
The IUPAC name of dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium (CID 57399303) is dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium.
What is the SMILES notation for dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium?
The canonical SMILES for dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium is CCCCCCCCc1ccc(C2CCC([N+](C)(C)C(C)C)CC2)cc1.
What is the InChIKey of dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium?
The InChIKey is MMHMNBIZCXRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N/c1-6-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(4,5)21(2)3/h13-16,21,24-25H,6-12,17-20H2,1-5H3/q+1.
What are the key properties of dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium?
dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium has a molecular weight of 358.63 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium is sourced from PubChem (CID 57399303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).