2-cyanoethyl-dimethyl-tetradecylazanium

C19H39N2+ — CID 14625576

IUPAC2-cyanoethyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCC#N
InChIInChI=1S/C19H39N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-16,18-19H2,1-3H3/q+1
InChIKeyOBGKRMXBZHQGMK-UHFFFAOYSA-N
MW295.53 g/mol
LogP5.68
Rot. Bonds15

About 2-cyanoethyl-dimethyl-tetradecylazanium

2-cyanoethyl-dimethyl-tetradecylazanium (PubChem CID 14625576) has the molecular formula C19H39N2+ and a molecular weight of 295.53 g/mol. Its IUPAC name is 2-cyanoethyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Name2-cyanoethyl-dimethyl-tetradecylazanium
PubChem CID14625576
Molecular FormulaC19H39N2+
Molecular Weight295.53 g/mol
Exact Mass295.31
IUPAC Name2-cyanoethyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)CCC#N
InChIInChI=1S/C19H39N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-16,18-19H2,1-3H3/q+1
InChIKeyOBGKRMXBZHQGMK-UHFFFAOYSA-N
XLogP5.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-cyanoethyl-dodecyl-dimethylazanium
CID 14625450
butyl-dimethyl-pentadecylazanium
CID 58827785
butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl-dimethyl-tetradecylazanium?
The IUPAC name of 2-cyanoethyl-dimethyl-tetradecylazanium (CID 14625576) is 2-cyanoethyl-dimethyl-tetradecylazanium.
What is the SMILES notation for 2-cyanoethyl-dimethyl-tetradecylazanium?
The canonical SMILES for 2-cyanoethyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)CCC#N.
What is the InChIKey of 2-cyanoethyl-dimethyl-tetradecylazanium?
The InChIKey is OBGKRMXBZHQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21(2,3)19-16-17-20/h4-16,18-19H2,1-3H3/q+1.
What are the key properties of 2-cyanoethyl-dimethyl-tetradecylazanium?
2-cyanoethyl-dimethyl-tetradecylazanium has a molecular weight of 295.53 g/mol, XLogP of 5.68, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 14625576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).