(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide

C8H15N5 — CID 154515454

IUPAC(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N/C=N/C)=C(C)\N=C\C
InChIInChI=1S/C8H15N5/c1-4-12-6(2)7(8(9)10)13-5-11-3/h4-5H,1-3H3,(H3,9,10)(H,11,13)/b7-6+,12-4+
InChIKeyNKXJRAHGMHWSDI-GJQNCLFESA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds4

About (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide

(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide (PubChem CID 154515454) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide
PubChem CID154515454
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N/C=N/C)=C(C)\N=C\C
InChIInChI=1S/C8H15N5/c1-4-12-6(2)7(8(9)10)13-5-11-3/h4-5H,1-3H3,(H3,9,10)(H,11,13)/b7-6+,12-4+
InChIKeyNKXJRAHGMHWSDI-GJQNCLFESA-N
XLogP0.49
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
(Z)-3-amino-N,N'-dimethyl-2-(methylideneamino)but-2-enimidamide
CID 143940343
2-(ethylideneamino)-N,N'-dimethylprop-2-enimidamide
CID 163781501
(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide
CID 164856656
(E)-2-(ethylideneamino)-N-methanimidoyl-N'-methylbut-2-enimidamide
CID 176531141

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide?
The IUPAC name of (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide (CID 154515454) is (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide.
What is the SMILES notation for (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide?
The canonical SMILES for (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide is [H]/N=C(N)/C(N/C=N/C)=C(C)\N=C\C.
What is the InChIKey of (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide?
The InChIKey is NKXJRAHGMHWSDI-GJQNCLFESA-N. The full InChI is InChI=1S/C8H15N5/c1-4-12-6(2)7(8(9)10)13-5-11-3/h4-5H,1-3H3,(H3,9,10)(H,11,13)/b7-6+,12-4+.
What are the key properties of (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide?
(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide has a molecular weight of 181.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide is sourced from PubChem (CID 154515454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).