N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide

C14H30N2S2 — CID 139332463

IUPACN,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide
SMILESCC/N=C(/N(C(C)(C)C)C(C)(C)C)C(C)(C)SS
InChIInChI=1S/C14H30N2S2/c1-10-15-11(14(8,9)18-17)16(12(2,3)4)13(5,6)7/h17H,10H2,1-9H3/b15-11+
InChIKeyHETNGRKFDBYQJO-RVDMUPIBSA-N
MW290.54 g/mol
LogP4.66
Rot. Bonds3

About N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide

N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide (PubChem CID 139332463) has the molecular formula C14H30N2S2 and a molecular weight of 290.54 g/mol. Its IUPAC name is N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide.

Molecular Properties

Compound NameN,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide
PubChem CID139332463
Molecular FormulaC14H30N2S2
Molecular Weight290.54 g/mol
Exact Mass290.19
IUPAC NameN,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide
SMILESCC/N=C(/N(C(C)(C)C)C(C)(C)C)C(C)(C)SS
InChIInChI=1S/C14H30N2S2/c1-10-15-11(14(8,9)18-17)16(12(2,3)4)13(5,6)7/h17H,10H2,1-9H3/b15-11+
InChIKeyHETNGRKFDBYQJO-RVDMUPIBSA-N
XLogP4.66
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(Diethylamino)-3-diethylazaniumylidenepropanedithioate
CID 177469708

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide?
The IUPAC name of N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide (CID 139332463) is N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide.
What is the SMILES notation for N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide?
The canonical SMILES for N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide is CC/N=C(/N(C(C)(C)C)C(C)(C)C)C(C)(C)SS.
What is the InChIKey of N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide?
The InChIKey is HETNGRKFDBYQJO-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H30N2S2/c1-10-15-11(14(8,9)18-17)16(12(2,3)4)13(5,6)7/h17H,10H2,1-9H3/b15-11+.
What are the key properties of N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide?
N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide has a molecular weight of 290.54 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2-(disulfanyl)-N'-ethyl-2-methylpropanimidamide is sourced from PubChem (CID 139332463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).