2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane

C14H29N3 — CID 162681954

IUPAC2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane
SMILESC=C(C)N/C(=N\C(C)(C)C)C(N)=C(C)C.CC
InChIInChI=1S/C12H23N3.C2H6/c1-8(2)10(13)11(14-9(3)4)15-12(5,6)7;1-2/h3,13H2,1-2,4-7H3,(H,14,15);1-2H3
InChIKeyFBLIGFWETJRQOO-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.59
Rot. Bonds2

About 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane

2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane (PubChem CID 162681954) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane.

Molecular Properties

Compound Name2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane
PubChem CID162681954
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane
SMILESC=C(C)N/C(=N\C(C)(C)C)C(N)=C(C)C.CC
InChIInChI=1S/C12H23N3.C2H6/c1-8(2)10(13)11(14-9(3)4)15-12(5,6)7;1-2/h3,13H2,1-2,4-7H3,(H,14,15);1-2H3
InChIKeyFBLIGFWETJRQOO-UHFFFAOYSA-N
XLogP3.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane?
The IUPAC name of 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane (CID 162681954) is 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane.
What is the SMILES notation for 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane?
The canonical SMILES for 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane is C=C(C)N/C(=N\C(C)(C)C)C(N)=C(C)C.CC.
What is the InChIKey of 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane?
The InChIKey is FBLIGFWETJRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.C2H6/c1-8(2)10(13)11(14-9(3)4)15-12(5,6)7;1-2/h3,13H2,1-2,4-7H3,(H,14,15);1-2H3.
What are the key properties of 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane?
2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane has a molecular weight of 239.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-tert-butyl-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide;ethane is sourced from PubChem (CID 162681954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).