3-ethyldodecane;bis(N-ethylethanamine)

C22H52N2 — CID 160952353

IUPAC3-ethyldodecane;bis(N-ethylethanamine)
SMILESCCCCCCCCCC(CC)CC.CCNCC.CCNCC
InChIInChI=1S/C14H30.2C4H11N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3;2*1-3-5-4-2/h14H,4-13H2,1-3H3;2*5H,3-4H2,1-2H3
InChIKeySVXSYBJNKCXWPH-UHFFFAOYSA-N
MW344.67 g/mol
LogP6.79
Rot. Bonds14

About 3-ethyldodecane;bis(N-ethylethanamine)

3-ethyldodecane;bis(N-ethylethanamine) (PubChem CID 160952353) has the molecular formula C22H52N2 and a molecular weight of 344.67 g/mol. Its IUPAC name is 3-ethyldodecane;bis(N-ethylethanamine).

Molecular Properties

Compound Name3-ethyldodecane;bis(N-ethylethanamine)
PubChem CID160952353
Molecular FormulaC22H52N2
Molecular Weight344.67 g/mol
Exact Mass344.41
IUPAC Name3-ethyldodecane;bis(N-ethylethanamine)
SMILESCCCCCCCCCC(CC)CC.CCNCC.CCNCC
InChIInChI=1S/C14H30.2C4H11N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3;2*1-3-5-4-2/h14H,4-13H2,1-3H3;2*5H,3-4H2,1-2H3
InChIKeySVXSYBJNKCXWPH-UHFFFAOYSA-N
XLogP6.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.67
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyldodecane;bis(N-ethylethanamine) 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

3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
ethane;3-ethylundecane
CID 144815521
3-ethyloctane;propane
CID 143682929
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306
N-ethyl-2-propylnonan-1-amine
CID 63498677
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of 3-ethyldodecane;bis(N-ethylethanamine)?
The IUPAC name of 3-ethyldodecane;bis(N-ethylethanamine) (CID 160952353) is 3-ethyldodecane;bis(N-ethylethanamine).
What is the SMILES notation for 3-ethyldodecane;bis(N-ethylethanamine)?
The canonical SMILES for 3-ethyldodecane;bis(N-ethylethanamine) is CCCCCCCCCC(CC)CC.CCNCC.CCNCC.
What is the InChIKey of 3-ethyldodecane;bis(N-ethylethanamine)?
The InChIKey is SVXSYBJNKCXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.2C4H11N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3;2*1-3-5-4-2/h14H,4-13H2,1-3H3;2*5H,3-4H2,1-2H3.
What are the key properties of 3-ethyldodecane;bis(N-ethylethanamine)?
3-ethyldodecane;bis(N-ethylethanamine) has a molecular weight of 344.67 g/mol, XLogP of 6.79, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldodecane;bis(N-ethylethanamine) is sourced from PubChem (CID 160952353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).