N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide

C12H24N2 — CID 134342450

IUPACN-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide
SMILESCC/C=C/N(/C(C)=N/C(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-9-14(11(4)5)12(6)13-10(2)3/h8-11H,7H2,1-6H3/b9-8+,13-12+
InChIKeyFIZWYGSTUUOZFG-AFAJWACHSA-N
MW196.34 g/mol
LogP3.45
Rot. Bonds4

About N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide

N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide (PubChem CID 134342450) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide
PubChem CID134342450
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide
SMILESCC/C=C/N(/C(C)=N/C(C)C)C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-9-14(11(4)5)12(6)13-10(2)3/h8-11H,7H2,1-6H3/b9-8+,13-12+
InChIKeyFIZWYGSTUUOZFG-AFAJWACHSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.45
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-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide?
The IUPAC name of N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide (CID 134342450) is N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide?
The canonical SMILES for N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide is CC/C=C/N(/C(C)=N/C(C)C)C(C)C.
What is the InChIKey of N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide?
The InChIKey is FIZWYGSTUUOZFG-AFAJWACHSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-8-9-14(11(4)5)12(6)13-10(2)3/h8-11H,7H2,1-6H3/b9-8+,13-12+.
What are the key properties of N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide?
N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N,N'-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 134342450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).