1-chlorotetradecane;4-ethylpyridine

C21H38ClN — CID 70356859

IUPAC1-chlorotetradecane;4-ethylpyridine
SMILESCCCCCCCCCCCCCCCl.CCc1ccncc1
InChIInChI=1S/C14H29Cl.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-7-3-5-8-6-4-7/h2-14H2,1H3;3-6H,2H2,1H3
InChIKeyAMPVWOSFVXYLMK-UHFFFAOYSA-N
MW340.00 g/mol
LogP7.57
Rot. Bonds13

About 1-chlorotetradecane;4-ethylpyridine

1-chlorotetradecane;4-ethylpyridine (PubChem CID 70356859) has the molecular formula C21H38ClN and a molecular weight of 340.00 g/mol. Its IUPAC name is 1-chlorotetradecane;4-ethylpyridine.

Molecular Properties

Compound Name1-chlorotetradecane;4-ethylpyridine
PubChem CID70356859
Molecular FormulaC21H38ClN
Molecular Weight340.00 g/mol
Exact Mass339.27
IUPAC Name1-chlorotetradecane;4-ethylpyridine
SMILESCCCCCCCCCCCCCCCl.CCc1ccncc1
InChIInChI=1S/C14H29Cl.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-7-3-5-8-6-4-7/h2-14H2,1H3;3-6H,2H2,1H3
InChIKeyAMPVWOSFVXYLMK-UHFFFAOYSA-N
XLogP7.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.00
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chlorotetradecane;4-ethylpyridine 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

ethane;4-ethylpyridine
CID 142005045
1-chlorooctane;pyridine
CID 19599073
1,4-diethylbenzene;heptane
CID 175370860
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
1-chlorohexadecane;isoquinoline
CID 67317092
sodium;1-chlorododecane;chloride
CID 175001889
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;pentadecane
CID 174295582

Frequently Asked Questions

What is the IUPAC name of 1-chlorotetradecane;4-ethylpyridine?
The IUPAC name of 1-chlorotetradecane;4-ethylpyridine (CID 70356859) is 1-chlorotetradecane;4-ethylpyridine.
What is the SMILES notation for 1-chlorotetradecane;4-ethylpyridine?
The canonical SMILES for 1-chlorotetradecane;4-ethylpyridine is CCCCCCCCCCCCCCCl.CCc1ccncc1.
What is the InChIKey of 1-chlorotetradecane;4-ethylpyridine?
The InChIKey is AMPVWOSFVXYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl.C7H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-7-3-5-8-6-4-7/h2-14H2,1H3;3-6H,2H2,1H3.
What are the key properties of 1-chlorotetradecane;4-ethylpyridine?
1-chlorotetradecane;4-ethylpyridine has a molecular weight of 340.00 g/mol, XLogP of 7.57, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotetradecane;4-ethylpyridine is sourced from PubChem (CID 70356859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).