2-decyl-4-ethylpyridine;tetradecane

C31H59N — CID 174509045

IUPAC2-decyl-4-ethylpyridine;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCc1cc(CC)ccn1
InChIInChI=1S/C17H29N.C14H30/c1-3-5-6-7-8-9-10-11-12-17-15-16(4-2)13-14-18-17;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3;3-14H2,1-2H3
InChIKeySOMYDYJMTHIHCT-UHFFFAOYSA-N
MW445.82 g/mol
LogP11.03
Rot. Bonds21

About 2-decyl-4-ethylpyridine;tetradecane

2-decyl-4-ethylpyridine;tetradecane (PubChem CID 174509045) has the molecular formula C31H59N and a molecular weight of 445.82 g/mol. Its IUPAC name is 2-decyl-4-ethylpyridine;tetradecane.

Molecular Properties

Compound Name2-decyl-4-ethylpyridine;tetradecane
PubChem CID174509045
Molecular FormulaC31H59N
Molecular Weight445.82 g/mol
Exact Mass445.46
IUPAC Name2-decyl-4-ethylpyridine;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCc1cc(CC)ccn1
InChIInChI=1S/C17H29N.C14H30/c1-3-5-6-7-8-9-10-11-12-17-15-16(4-2)13-14-18-17;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3;3-14H2,1-2H3
InChIKeySOMYDYJMTHIHCT-UHFFFAOYSA-N
XLogP11.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.82
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-decyl-4-ethylpyridine;tetradecane 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

4-(2,2-dimethylpropyl)-2-pentylpyridine
CID 129191478
4-chloro-2-heptylpyridine
CID 166820805
(4-octyl-2-pyridinyl)methanol
CID 156538031
4-tert-butyl-2-pentylpyridine
CID 129189676
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
2-propyl-4-[2-(2-propyl-4-pyridinyl)ethyl]pyridine
CID 139918723
4,6-dihexadecylpyrimidine
CID 91309058

Frequently Asked Questions

What is the IUPAC name of 2-decyl-4-ethylpyridine;tetradecane?
The IUPAC name of 2-decyl-4-ethylpyridine;tetradecane (CID 174509045) is 2-decyl-4-ethylpyridine;tetradecane.
What is the SMILES notation for 2-decyl-4-ethylpyridine;tetradecane?
The canonical SMILES for 2-decyl-4-ethylpyridine;tetradecane is CCCCCCCCCCCCCC.CCCCCCCCCCc1cc(CC)ccn1.
What is the InChIKey of 2-decyl-4-ethylpyridine;tetradecane?
The InChIKey is SOMYDYJMTHIHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.C14H30/c1-3-5-6-7-8-9-10-11-12-17-15-16(4-2)13-14-18-17;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3;3-14H2,1-2H3.
What are the key properties of 2-decyl-4-ethylpyridine;tetradecane?
2-decyl-4-ethylpyridine;tetradecane has a molecular weight of 445.82 g/mol, XLogP of 11.03, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4-ethylpyridine;tetradecane is sourced from PubChem (CID 174509045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).