dimethylazanium;1-dodecoxydodecane;chloride

C26H58ClNO — CID 172684470

IUPACdimethylazanium;1-dodecoxydodecane;chloride
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.C[NH2+]C.[Cl-]
InChIInChI=1S/C24H50O.C2H7N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-3-2;/h3-24H2,1-2H3;3H,1-2H3;1H
InChIKeyAVRYSEKXOURTIR-UHFFFAOYSA-N
MW436.21 g/mol
LogP4.66
Rot. Bonds22

About dimethylazanium;1-dodecoxydodecane;chloride

dimethylazanium;1-dodecoxydodecane;chloride (PubChem CID 172684470) has the molecular formula C26H58ClNO and a molecular weight of 436.21 g/mol. Its IUPAC name is dimethylazanium;1-dodecoxydodecane;chloride.

Molecular Properties

Compound Namedimethylazanium;1-dodecoxydodecane;chloride
PubChem CID172684470
Molecular FormulaC26H58ClNO
Molecular Weight436.21 g/mol
Exact Mass435.42
IUPAC Namedimethylazanium;1-dodecoxydodecane;chloride
SMILESCCCCCCCCCCCCOCCCCCCCCCCCC.C[NH2+]C.[Cl-]
InChIInChI=1S/C24H50O.C2H7N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-3-2;/h3-24H2,1-2H3;3H,1-2H3;1H
InChIKeyAVRYSEKXOURTIR-UHFFFAOYSA-N
XLogP4.66
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethylazanium;1-dodecoxydodecane;chloride 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-hexoxyhexane;yttrium
CID 87066735
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1-dodecoxydodecane;chloride?
The IUPAC name of dimethylazanium;1-dodecoxydodecane;chloride (CID 172684470) is dimethylazanium;1-dodecoxydodecane;chloride.
What is the SMILES notation for dimethylazanium;1-dodecoxydodecane;chloride?
The canonical SMILES for dimethylazanium;1-dodecoxydodecane;chloride is CCCCCCCCCCCCOCCCCCCCCCCCC.C[NH2+]C.[Cl-].
What is the InChIKey of dimethylazanium;1-dodecoxydodecane;chloride?
The InChIKey is AVRYSEKXOURTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O.C2H7N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;1-3-2;/h3-24H2,1-2H3;3H,1-2H3;1H.
What are the key properties of dimethylazanium;1-dodecoxydodecane;chloride?
dimethylazanium;1-dodecoxydodecane;chloride has a molecular weight of 436.21 g/mol, XLogP of 4.66, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1-dodecoxydodecane;chloride is sourced from PubChem (CID 172684470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).