N,N-dimethylmethanamine;octanoic acid

C11H25NO2 — CID 173098896

IUPACN,N-dimethylmethanamine;octanoic acid
SMILESCCCCCCCC(=O)O.CN(C)C
InChIInChI=1S/C8H16O2.C3H9N/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);1-3H3
InChIKeyXYTOINHYAJCBFG-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.61
Rot. Bonds6

About N,N-dimethylmethanamine;octanoic acid

N,N-dimethylmethanamine;octanoic acid (PubChem CID 173098896) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N,N-dimethylmethanamine;octanoic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;octanoic acid
PubChem CID173098896
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN,N-dimethylmethanamine;octanoic acid
SMILESCCCCCCCC(=O)O.CN(C)C
InChIInChI=1S/C8H16O2.C3H9N/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);1-3H3
InChIKeyXYTOINHYAJCBFG-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylmethanamine;octanoic acid 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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;octanoic acid?
The IUPAC name of N,N-dimethylmethanamine;octanoic acid (CID 173098896) is N,N-dimethylmethanamine;octanoic acid.
What is the SMILES notation for N,N-dimethylmethanamine;octanoic acid?
The canonical SMILES for N,N-dimethylmethanamine;octanoic acid is CCCCCCCC(=O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;octanoic acid?
The InChIKey is XYTOINHYAJCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C3H9N/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);1-3H3.
What are the key properties of N,N-dimethylmethanamine;octanoic acid?
N,N-dimethylmethanamine;octanoic acid has a molecular weight of 203.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;octanoic acid is sourced from PubChem (CID 173098896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).