N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide

C8H18N2S — CID 65137198

IUPACN,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide
SMILES[H]/N=C(\CSCC(C)C)N(C)C
InChIInChI=1S/C8H18N2S/c1-7(2)5-11-6-8(9)10(3)4/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyHCNUPIFABJWLFW-CMDGGOBGSA-N
MW174.31 g/mol
LogP1.91
Rot. Bonds4

About N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide

N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide (PubChem CID 65137198) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide
PubChem CID65137198
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide
SMILES[H]/N=C(\CSCC(C)C)N(C)C
InChIInChI=1S/C8H18N2S/c1-7(2)5-11-6-8(9)10(3)4/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyHCNUPIFABJWLFW-CMDGGOBGSA-N
XLogP1.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The IUPAC name of N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide (CID 65137198) is N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide is [H]/N=C(\CSCC(C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
The InChIKey is HCNUPIFABJWLFW-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(2)5-11-6-8(9)10(3)4/h7,9H,5-6H2,1-4H3/b9-8+.
What are the key properties of N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide?
N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide has a molecular weight of 174.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylpropylsulfanyl)ethanimidamide is sourced from PubChem (CID 65137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).