dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium

C19H41N2S+ — CID 87897467

IUPACdimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium
SMILESCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C19H41N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19(22-5)20(2)3/h6-18H2,1-5H3/q+1
InChIKeyMXVMFNLFANORHC-UHFFFAOYSA-N
MW329.62 g/mol
LogP5.61
Rot. Bonds13

About dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium

dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium (PubChem CID 87897467) has the molecular formula C19H41N2S+ and a molecular weight of 329.62 g/mol. Its IUPAC name is dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium
PubChem CID87897467
Molecular FormulaC19H41N2S+
Molecular Weight329.62 g/mol
Exact Mass329.30
IUPAC Namedimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium
SMILESCCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C19H41N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19(22-5)20(2)3/h6-18H2,1-5H3/q+1
InChIKeyMXVMFNLFANORHC-UHFFFAOYSA-N
XLogP5.61
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.62
LogP ≤ 55.61
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-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium?
The IUPAC name of dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium (CID 87897467) is dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium.
What is the SMILES notation for dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium?
The canonical SMILES for dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium is CCCCCCCCCCCCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium?
The InChIKey is MXVMFNLFANORHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4)19(22-5)20(2)3/h6-18H2,1-5H3/q+1.
What are the key properties of dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium?
dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium has a molecular weight of 329.62 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methylsulfanyl-[methyl(tetradecyl)amino]methylidene]azanium is sourced from PubChem (CID 87897467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).