3-(hexadecylamino)propyl-dimethyl-tetradecylazanium

C35H75N2+ — CID 175110689

IUPAC3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCCCCNCCC[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C35H75N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-32-36-33-31-35-37(3,4)34-30-28-26-24-22-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3/q+1
InChIKeySFVNNOSLWXOGRL-UHFFFAOYSA-N
MW524.00 g/mol
LogP11.22
Rot. Bonds32

About 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium

3-(hexadecylamino)propyl-dimethyl-tetradecylazanium (PubChem CID 175110689) has the molecular formula C35H75N2+ and a molecular weight of 524.00 g/mol. Its IUPAC name is 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Name3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
PubChem CID175110689
Molecular FormulaC35H75N2+
Molecular Weight524.00 g/mol
Exact Mass523.59
IUPAC Name3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCCCCNCCC[N+](C)(C)CCCCCCCCCCCCCC
InChIInChI=1S/C35H75N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-32-36-33-31-35-37(3,4)34-30-28-26-24-22-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3/q+1
InChIKeySFVNNOSLWXOGRL-UHFFFAOYSA-N
XLogP11.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.00
LogP ≤ 511.22
H-Bond Donors ≤ 51
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

dimethyl-[3-(octadecylamino)propyl]-tetradecylazanium
CID 141224619
dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
CID 102401794
decyl-[[4-[decyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685948
hexadecyl-[[4-[hexadecyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685485
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
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
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288

Frequently Asked Questions

What is the IUPAC name of 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium?
The IUPAC name of 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium (CID 175110689) is 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium.
What is the SMILES notation for 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium?
The canonical SMILES for 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCCCCNCCC[N+](C)(C)CCCCCCCCCCCCCC.
What is the InChIKey of 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium?
The InChIKey is SFVNNOSLWXOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H75N2/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-32-36-33-31-35-37(3,4)34-30-28-26-24-22-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3/q+1.
What are the key properties of 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium?
3-(hexadecylamino)propyl-dimethyl-tetradecylazanium has a molecular weight of 524.00 g/mol, XLogP of 11.22, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexadecylamino)propyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 175110689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).