N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide

C7H16N4 — CID 59908083

IUPACN-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide
SMILESC/N=C/N=C(\C)N(C)N(C)C
InChIInChI=1S/C7H16N4/c1-7(9-6-8-2)11(5)10(3)4/h6H,1-5H3/b8-6+,9-7+
InChIKeyXTSRAMMBAZANNK-CDJQDVQCSA-N
MW156.23 g/mol
LogP0.47
Rot. Bonds2

About N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide

N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide (PubChem CID 59908083) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide
PubChem CID59908083
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide
SMILESC/N=C/N=C(\C)N(C)N(C)C
InChIInChI=1S/C7H16N4/c1-7(9-6-8-2)11(5)10(3)4/h6H,1-5H3/b8-6+,9-7+
InChIKeyXTSRAMMBAZANNK-CDJQDVQCSA-N
XLogP0.47
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide?
The IUPAC name of N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide (CID 59908083) is N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide?
The canonical SMILES for N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide is C/N=C/N=C(\C)N(C)N(C)C.
What is the InChIKey of N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide?
The InChIKey is XTSRAMMBAZANNK-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H16N4/c1-7(9-6-8-2)11(5)10(3)4/h6H,1-5H3/b8-6+,9-7+.
What are the key properties of N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide?
N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylamino)-N-methyl-N'-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 59908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).