(Z)-2-cyano-N',3-dimethylpent-2-enimidamide

C8H13N3 — CID 145008375

IUPAC(Z)-2-cyano-N',3-dimethylpent-2-enimidamide
SMILESCC/C(C)=C(C#N)\C(N)=N\C
InChIInChI=1S/C8H13N3/c1-4-6(2)7(5-9)8(10)11-3/h4H2,1-3H3,(H2,10,11)/b7-6-
InChIKeyNEUPAVSPGZZVSF-SREVYHEPSA-N
MW151.21 g/mol
LogP1.22
Rot. Bonds2

About (Z)-2-cyano-N',3-dimethylpent-2-enimidamide

(Z)-2-cyano-N',3-dimethylpent-2-enimidamide (PubChem CID 145008375) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-2-cyano-N',3-dimethylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-cyano-N',3-dimethylpent-2-enimidamide
PubChem CID145008375
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z)-2-cyano-N',3-dimethylpent-2-enimidamide
SMILESCC/C(C)=C(C#N)\C(N)=N\C
InChIInChI=1S/C8H13N3/c1-4-6(2)7(5-9)8(10)11-3/h4H2,1-3H3,(H2,10,11)/b7-6-
InChIKeyNEUPAVSPGZZVSF-SREVYHEPSA-N
XLogP1.22
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (Z)-2-cyano-N',3-dimethylpent-2-enimidamide?
The IUPAC name of (Z)-2-cyano-N',3-dimethylpent-2-enimidamide (CID 145008375) is (Z)-2-cyano-N',3-dimethylpent-2-enimidamide.
What is the SMILES notation for (Z)-2-cyano-N',3-dimethylpent-2-enimidamide?
The canonical SMILES for (Z)-2-cyano-N',3-dimethylpent-2-enimidamide is CC/C(C)=C(C#N)\C(N)=N\C.
What is the InChIKey of (Z)-2-cyano-N',3-dimethylpent-2-enimidamide?
The InChIKey is NEUPAVSPGZZVSF-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-6(2)7(5-9)8(10)11-3/h4H2,1-3H3,(H2,10,11)/b7-6-.
What are the key properties of (Z)-2-cyano-N',3-dimethylpent-2-enimidamide?
(Z)-2-cyano-N',3-dimethylpent-2-enimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N',3-dimethylpent-2-enimidamide is sourced from PubChem (CID 145008375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).