N-ethylethanamine;hexanoic acid;vanadium

C10H23NO2V — CID 174668007

IUPACN-ethylethanamine;hexanoic acid;vanadium
SMILESCCCCCC(=O)O.CCNCC.[V]
InChIInChI=1S/C6H12O2.C4H11N.V/c1-2-3-4-5-6(7)8;1-3-5-4-2;/h2-5H2,1H3,(H,7,8);5H,3-4H2,1-2H3;
InChIKeyCUNJODQCMBMVIR-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.26
Rot. Bonds6

About N-ethylethanamine;hexanoic acid;vanadium

N-ethylethanamine;hexanoic acid;vanadium (PubChem CID 174668007) has the molecular formula C10H23NO2V and a molecular weight of 240.24 g/mol. Its IUPAC name is N-ethylethanamine;hexanoic acid;vanadium.

Molecular Properties

Compound NameN-ethylethanamine;hexanoic acid;vanadium
PubChem CID174668007
Molecular FormulaC10H23NO2V
Molecular Weight240.24 g/mol
Exact Mass240.12
IUPAC NameN-ethylethanamine;hexanoic acid;vanadium
SMILESCCCCCC(=O)O.CCNCC.[V]
InChIInChI=1S/C6H12O2.C4H11N.V/c1-2-3-4-5-6(7)8;1-3-5-4-2;/h2-5H2,1H3,(H,7,8);5H,3-4H2,1-2H3;
InChIKeyCUNJODQCMBMVIR-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethylethanamine;hexanoic acid;vanadium 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

N-ethylethanamine;nonanedioic acid
CID 14150788
CID 57488644
CID 57488644
N-ethylethanamine;12-hydroxyoctadecanoic acid
CID 161341223
decanoic acid
CID 173247116
CID 87086123
CID 87086123
henicosane;tetracontanoic acid
CID 175935348
butane;hexanoic acid
CID 87467677
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

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;hexanoic acid;vanadium?
The IUPAC name of N-ethylethanamine;hexanoic acid;vanadium (CID 174668007) is N-ethylethanamine;hexanoic acid;vanadium.
What is the SMILES notation for N-ethylethanamine;hexanoic acid;vanadium?
The canonical SMILES for N-ethylethanamine;hexanoic acid;vanadium is CCCCCC(=O)O.CCNCC.[V].
What is the InChIKey of N-ethylethanamine;hexanoic acid;vanadium?
The InChIKey is CUNJODQCMBMVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H11N.V/c1-2-3-4-5-6(7)8;1-3-5-4-2;/h2-5H2,1H3,(H,7,8);5H,3-4H2,1-2H3;.
What are the key properties of N-ethylethanamine;hexanoic acid;vanadium?
N-ethylethanamine;hexanoic acid;vanadium has a molecular weight of 240.24 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;hexanoic acid;vanadium is sourced from PubChem (CID 174668007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).