N'-ethenyl-N-propan-2-ylideneethanimidamide

C7H12N2 — CID 88999116

IUPACN'-ethenyl-N-propan-2-ylideneethanimidamide
SMILESC=C/N=C(\C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5-8-7(4)9-6(2)3/h5H,1H2,2-4H3/b8-7+
InChIKeyMHRLJVFVIWWPLI-BQYQJAHWSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds1

About N'-ethenyl-N-propan-2-ylideneethanimidamide

N'-ethenyl-N-propan-2-ylideneethanimidamide (PubChem CID 88999116) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-ethenyl-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-propan-2-ylideneethanimidamide
PubChem CID88999116
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-ethenyl-N-propan-2-ylideneethanimidamide
SMILESC=C/N=C(\C)N=C(C)C
InChIInChI=1S/C7H12N2/c1-5-8-7(4)9-6(2)3/h5H,1H2,2-4H3/b8-7+
InChIKeyMHRLJVFVIWWPLI-BQYQJAHWSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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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Related Compounds

N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide
CID 88914767
N'-ethenyl-N-(1-fluoropropan-2-ylidene)methanimidamide
CID 176964133
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339
N'-ethenyl-2-methyliminopropanimidamide
CID 126657957
N'-ethenyl-2-iminopropanimidamide
CID 126657985
N'-ethenyl-N-ethenyliminoethanimidamide
CID 137491664
N'-(2-aminoethenyl)-N-propan-2-ylideneethanimidamide
CID 138750606
N'-ethenyl-N-methylidenepropanimidamide
CID 139386695
N'-ethenyl-N-methylideneethanimidamide
CID 141943187
ethane;N'-ethenyl-N-propan-2-ylidenemethanimidamide
CID 141955024
N'-ethenyl-N-propan-2-ylidenemethanimidamide
CID 141955025
ethane;N'-ethenyl-N-methylideneethanimidamide
CID 142068864

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-ethenyl-N-propan-2-ylideneethanimidamide (CID 88999116) is N'-ethenyl-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-ethenyl-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-ethenyl-N-propan-2-ylideneethanimidamide is C=C/N=C(\C)N=C(C)C.
What is the InChIKey of N'-ethenyl-N-propan-2-ylideneethanimidamide?
The InChIKey is MHRLJVFVIWWPLI-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-8-7(4)9-6(2)3/h5H,1H2,2-4H3/b8-7+.
What are the key properties of N'-ethenyl-N-propan-2-ylideneethanimidamide?
N'-ethenyl-N-propan-2-ylideneethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 88999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).