(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide

C8H16N4 — CID 164856656

IUPAC(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide
SMILESC/C=N/C(=N\C)/C(NC)=C(/C)N
InChIInChI=1S/C8H16N4/c1-5-12-8(11-4)7(10-3)6(2)9/h5,10H,9H2,1-4H3/b7-6+,11-8-,12-5+
InChIKeyGTPFGHINHPUUMK-RGLFMCIBSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds2

About (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide

(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide (PubChem CID 164856656) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide
PubChem CID164856656
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide
SMILESC/C=N/C(=N\C)/C(NC)=C(/C)N
InChIInChI=1S/C8H16N4/c1-5-12-8(11-4)7(10-3)6(2)9/h5,10H,9H2,1-4H3/b7-6+,11-8-,12-5+
InChIKeyGTPFGHINHPUUMK-RGLFMCIBSA-N
XLogP0.51
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
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

6-Methyl-5-(pentylideneamino)-1,2-dihydropyrimidine-2,4-diamine
CID 138630796
(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide;propane
CID 142462160
6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine
CID 143478946
(Z)-3-amino-N,N'-dimethyl-2-(methylideneamino)but-2-enimidamide
CID 143940343
[(Z)-1,2-diamino-3-(ethylamino)but-2-enylidene]-methylazanium
CID 144534926
(E)-3-(ethylideneamino)-2-(methyliminomethylamino)but-2-enimidamide
CID 154515454
N-ethyl-2-ethyliminopyrrol-3-amine
CID 166688955
2,3-diamino-N-ethylidene-N'-methylbut-2-enimidamide
CID 173671098
(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide
CID 142462161
(Z)-2-amino-3-(ethylamino)-N'-methylbut-2-enimidamide
CID 144534927

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide?
The IUPAC name of (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide (CID 164856656) is (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide?
The canonical SMILES for (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide is C/C=N/C(=N\C)/C(NC)=C(/C)N.
What is the InChIKey of (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide?
The InChIKey is GTPFGHINHPUUMK-RGLFMCIBSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-12-8(11-4)7(10-3)6(2)9/h5,10H,9H2,1-4H3/b7-6+,11-8-,12-5+.
What are the key properties of (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide?
(E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N-ethylidene-N'-methyl-2-(methylamino)but-2-enimidamide is sourced from PubChem (CID 164856656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).