N-(dimethylaminomethylidene)-N'-ethenylethanimidamide

C7H13N3 — CID 167022045

IUPACN-(dimethylaminomethylidene)-N'-ethenylethanimidamide
SMILESC=C/N=C(C)/N=C/N(C)C
InChIInChI=1S/C7H13N3/c1-5-8-7(2)9-6-10(3)4/h5-6H,1H2,2-4H3/b8-7+,9-6+
InChIKeyPWDYJPFURSKRTI-KHHFIZIMSA-N
MW139.20 g/mol
LogP1.14
Rot. Bonds2

About N-(dimethylaminomethylidene)-N'-ethenylethanimidamide

N-(dimethylaminomethylidene)-N'-ethenylethanimidamide (PubChem CID 167022045) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-N'-ethenylethanimidamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-N'-ethenylethanimidamide
PubChem CID167022045
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(dimethylaminomethylidene)-N'-ethenylethanimidamide
SMILESC=C/N=C(C)/N=C/N(C)C
InChIInChI=1S/C7H13N3/c1-5-8-7(2)9-6-10(3)4/h5-6H,1H2,2-4H3/b8-7+,9-6+
InChIKeyPWDYJPFURSKRTI-KHHFIZIMSA-N
XLogP1.14
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(dimethylaminomethylidene)-N'-ethenylethanimidamide?
The IUPAC name of N-(dimethylaminomethylidene)-N'-ethenylethanimidamide (CID 167022045) is N-(dimethylaminomethylidene)-N'-ethenylethanimidamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-N'-ethenylethanimidamide?
The canonical SMILES for N-(dimethylaminomethylidene)-N'-ethenylethanimidamide is C=C/N=C(C)/N=C/N(C)C.
What is the InChIKey of N-(dimethylaminomethylidene)-N'-ethenylethanimidamide?
The InChIKey is PWDYJPFURSKRTI-KHHFIZIMSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-8-7(2)9-6-10(3)4/h5-6H,1H2,2-4H3/b8-7+,9-6+.
What are the key properties of N-(dimethylaminomethylidene)-N'-ethenylethanimidamide?
N-(dimethylaminomethylidene)-N'-ethenylethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-N'-ethenylethanimidamide is sourced from PubChem (CID 167022045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).