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

C16H35N2S+ — CID 87895659

IUPACdimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium
SMILESCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C16H35N2S/c1-6-7-8-9-10-11-12-13-14-15-18(4)16(19-5)17(2)3/h6-15H2,1-5H3/q+1
InChIKeyJZAMBVKSGNFMII-UHFFFAOYSA-N
MW287.54 g/mol
LogP4.44
Rot. Bonds10

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

dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium (PubChem CID 87895659) has the molecular formula C16H35N2S+ and a molecular weight of 287.54 g/mol. Its IUPAC name is dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium
PubChem CID87895659
Molecular FormulaC16H35N2S+
Molecular Weight287.54 g/mol
Exact Mass287.25
IUPAC Namedimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium
SMILESCCCCCCCCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C16H35N2S/c1-6-7-8-9-10-11-12-13-14-15-18(4)16(19-5)17(2)3/h6-15H2,1-5H3/q+1
InChIKeyJZAMBVKSGNFMII-UHFFFAOYSA-N
XLogP4.44
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 54.44
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(undecyl)amino]methylidene]azanium?
The IUPAC name of dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium (CID 87895659) is dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium.
What is the SMILES notation for dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium?
The canonical SMILES for dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium is CCCCCCCCCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium?
The InChIKey is JZAMBVKSGNFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N2S/c1-6-7-8-9-10-11-12-13-14-15-18(4)16(19-5)17(2)3/h6-15H2,1-5H3/q+1.
What are the key properties of dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium?
dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium has a molecular weight of 287.54 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methylsulfanyl-[methyl(undecyl)amino]methylidene]azanium is sourced from PubChem (CID 87895659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).