N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide

C12H24N2 — CID 121310089

IUPACN,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide
SMILESCC(C)=C/C(=N\C(C)C)N(C)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)8-12(13-10(3)4)14(7)11(5)6/h8,10-11H,1-7H3/b13-12+
InChIKeyVJVQAGOFHNHLIB-OUKQBFOZSA-N
MW196.34 g/mol
LogP3.10
Rot. Bonds3

About N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide

N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide (PubChem CID 121310089) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide.

Molecular Properties

Compound NameN,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide
PubChem CID121310089
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide
SMILESCC(C)=C/C(=N\C(C)C)N(C)C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)8-12(13-10(3)4)14(7)11(5)6/h8,10-11H,1-7H3/b13-12+
InChIKeyVJVQAGOFHNHLIB-OUKQBFOZSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide?
The IUPAC name of N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide (CID 121310089) is N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide.
What is the SMILES notation for N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide?
The canonical SMILES for N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide is CC(C)=C/C(=N\C(C)C)N(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide?
The InChIKey is VJVQAGOFHNHLIB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)8-12(13-10(3)4)14(7)11(5)6/h8,10-11H,1-7H3/b13-12+.
What are the key properties of N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide?
N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N,N'-di(propan-2-yl)but-2-enimidamide is sourced from PubChem (CID 121310089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).