dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium

C24H51N2S+ — CID 87896019

IUPACdimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium
SMILESCCCCCCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C24H51N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4)24(27-5)25(2)3/h6-23H2,1-5H3/q+1
InChIKeyNOCIWYCNQONLFR-UHFFFAOYSA-N
MW399.75 g/mol
LogP7.56
Rot. Bonds18

About dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium

dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium (PubChem CID 87896019) has the molecular formula C24H51N2S+ and a molecular weight of 399.75 g/mol. Its IUPAC name is dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium.

Molecular Properties

Compound Namedimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium
PubChem CID87896019
Molecular FormulaC24H51N2S+
Molecular Weight399.75 g/mol
Exact Mass399.38
IUPAC Namedimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium
SMILESCCCCCCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C24H51N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4)24(27-5)25(2)3/h6-23H2,1-5H3/q+1
InChIKeyNOCIWYCNQONLFR-UHFFFAOYSA-N
XLogP7.56
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.75
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium?
The IUPAC name of dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium (CID 87896019) is dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium.
What is the SMILES notation for dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium?
The canonical SMILES for dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium is CCCCCCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium?
The InChIKey is NOCIWYCNQONLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4)24(27-5)25(2)3/h6-23H2,1-5H3/q+1.
What are the key properties of dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium?
dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium has a molecular weight of 399.75 g/mol, XLogP of 7.56, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[methyl(nonadecyl)amino]-methylsulfanylmethylidene]azanium is sourced from PubChem (CID 87896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).