N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide

C8H18N4S — CID 144623063

IUPACN-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide
SMILESCCCN(C)/C(N)=N/C(CS)=N/C
InChIInChI=1S/C8H18N4S/c1-4-5-12(3)8(9)11-7(6-13)10-2/h13H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyCFNZQCLVJZYMKD-UHFFFAOYSA-N
MW202.33 g/mol
LogP0.60
Rot. Bonds3

About N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide

N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide (PubChem CID 144623063) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide
PubChem CID144623063
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC NameN-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide
SMILESCCCN(C)/C(N)=N/C(CS)=N/C
InChIInChI=1S/C8H18N4S/c1-4-5-12(3)8(9)11-7(6-13)10-2/h13H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyCFNZQCLVJZYMKD-UHFFFAOYSA-N
XLogP0.60
TPSA53.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide;ethane
CID 144623062
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide?
The IUPAC name of N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide (CID 144623063) is N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide.
What is the SMILES notation for N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide?
The canonical SMILES for N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide is CCCN(C)/C(N)=N/C(CS)=N/C.
What is the InChIKey of N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide?
The InChIKey is CFNZQCLVJZYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-4-5-12(3)8(9)11-7(6-13)10-2/h13H,4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide?
N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide has a molecular weight of 202.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[methyl(propyl)amino]methylidene]-N'-methyl-2-sulfanylethanimidamide is sourced from PubChem (CID 144623063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).