(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide

C15H31N3 — CID 121313174

IUPAC(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
SMILESC/C(=C\C(=N\CC(C)C)N(C)CC(C)C)N(C)C
InChIInChI=1S/C15H31N3/c1-12(2)10-16-15(9-14(5)17(6)7)18(8)11-13(3)4/h9,12-13H,10-11H2,1-8H3/b14-9+,16-15-
InChIKeyASMSBOFGJSYATH-JCJUQLNASA-N
MW253.43 g/mol
LogP3.09
Rot. Bonds6

About (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide

(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide (PubChem CID 121313174) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
PubChem CID121313174
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
SMILESC/C(=C\C(=N\CC(C)C)N(C)CC(C)C)N(C)C
InChIInChI=1S/C15H31N3/c1-12(2)10-16-15(9-14(5)17(6)7)18(8)11-13(3)4/h9,12-13H,10-11H2,1-8H3/b14-9+,16-15-
InChIKeyASMSBOFGJSYATH-JCJUQLNASA-N
XLogP3.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide?
The IUPAC name of (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide (CID 121313174) is (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide?
The canonical SMILES for (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide is C/C(=C\C(=N\CC(C)C)N(C)CC(C)C)N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide?
The InChIKey is ASMSBOFGJSYATH-JCJUQLNASA-N. The full InChI is InChI=1S/C15H31N3/c1-12(2)10-16-15(9-14(5)17(6)7)18(8)11-13(3)4/h9,12-13H,10-11H2,1-8H3/b14-9+,16-15-.
What are the key properties of (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide?
(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide has a molecular weight of 253.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide is sourced from PubChem (CID 121313174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).