3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide

C15H27N3 — CID 126593370

IUPAC3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide
SMILESCCC/C=C/N=C(\N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C15H27N3/c1-6-8-9-10-17-15(16)14(12(3)4)18-11-13(5)7-2/h9-11,13H,6-8H2,1-5H3,(H2,16,17)/b10-9+,18-11+
InChIKeyIIDRAQFJJIRALA-XLRUTSMRSA-N
MW249.40 g/mol
LogP4.07
Rot. Bonds7

About 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide

3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide (PubChem CID 126593370) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide
PubChem CID126593370
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide
SMILESCCC/C=C/N=C(\N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C15H27N3/c1-6-8-9-10-17-15(16)14(12(3)4)18-11-13(5)7-2/h9-11,13H,6-8H2,1-5H3,(H2,16,17)/b10-9+,18-11+
InChIKeyIIDRAQFJJIRALA-XLRUTSMRSA-N
XLogP4.07
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
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

2-(butylideneamino)-N'-[(Z)-1-fluoropent-1-enyl]-3-methylbut-2-enimidamide
CID 173680235
N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 173924948
N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(propylideneamino)but-2-enimidamide
CID 173924951
N'-[(E)-1-fluorobut-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 155779404
N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 155779407
N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(propylideneamino)but-2-enimidamide
CID 156125433
N'-[(Z)-1-fluorobut-1-enyl]-3-methyl-2-(propylideneamino)but-2-enimidamide
CID 156644061
(2E,6E)-5,6-dimethyl-7-(2-methylpropylideneamino)-4,5-dihydroazocin-8-amine
CID 126593327
N'-[(E)-but-1-enyl]-3-methyl-2-(2-methylpropylideneamino)but-2-enimidamide
CID 126599241
N'-[(Z)-but-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
CID 134478692
N-[(E)-5-amino-3-methylpent-4-enylidene]-N'-methylethanimidamide
CID 138509392
ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine
CID 143716482

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The IUPAC name of 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide (CID 126593370) is 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide.
What is the SMILES notation for 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The canonical SMILES for 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide is CCC/C=C/N=C(\N)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide?
The InChIKey is IIDRAQFJJIRALA-XLRUTSMRSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-9-10-17-15(16)14(12(3)4)18-11-13(5)7-2/h9-11,13H,6-8H2,1-5H3,(H2,16,17)/b10-9+,18-11+.
What are the key properties of 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide?
3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide has a molecular weight of 249.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylbutylideneamino)-N'-[(E)-pent-1-enyl]but-2-enimidamide is sourced from PubChem (CID 126593370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).