3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide

C8H14N4 — CID 163967016

IUPAC3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide
SMILES[H]/N=C/N=C(\N=C\C)C(C)=C(C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(12-5-9)6(2)7(3)10/h4-5,9H,10H2,1-3H3/b7-6?,9-5+,11-4+,12-8-
InChIKeyILLODOBMNBUUBG-NKUUQFJRSA-N
MW166.23 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide

3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide (PubChem CID 163967016) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide.

Molecular Properties

Compound Name3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide
PubChem CID163967016
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide
SMILES[H]/N=C/N=C(\N=C\C)C(C)=C(C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(12-5-9)6(2)7(3)10/h4-5,9H,10H2,1-3H3/b7-6?,9-5+,11-4+,12-8-
InChIKeyILLODOBMNBUUBG-NKUUQFJRSA-N
XLogP1.34
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-2-cyano-3-(ethylideneamino)but-2-enimidamide
CID 124021193
3-Methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 126593438
ethane;N'-[(E)-1-[(Z)-ethylideneamino]-3-imino-2-methylprop-1-enyl]ethanimidamide
CID 143245762
3-amino-N',2-dimethyl-N-methylidenebut-2-enimidamide
CID 173551897
3-amino-2-methyl-N-methylidenebut-2-enimidamide
CID 173628362
3-amino-N'-ethyl-2-methyl-N-methylidenebut-2-enimidamide
CID 173628400
2,3-diamino-N-ethylidene-N'-methylbut-2-enimidamide
CID 173671098
3-amino-N'-ethyl-2-methylbut-2-enimidamide
CID 173833067
(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide
CID 174095535
(E)-N'-ethanimidoyl-2-methyl-3-(methylideneamino)but-2-enimidamide
CID 176523903
(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide
CID 142462161
N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
CID 143245763

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide?
The IUPAC name of 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide (CID 163967016) is 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide.
What is the SMILES notation for 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide?
The canonical SMILES for 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide is [H]/N=C/N=C(\N=C\C)C(C)=C(C)N.
What is the InChIKey of 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide?
The InChIKey is ILLODOBMNBUUBG-NKUUQFJRSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-11-8(12-5-9)6(2)7(3)10/h4-5,9H,10H2,1-3H3/b7-6?,9-5+,11-4+,12-8-.
What are the key properties of 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide?
3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethylidene-N'-methanimidoyl-2-methylbut-2-enimidamide is sourced from PubChem (CID 163967016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).