N-tert-butyl-N'-ethylethanimidamide

C8H18N2 — CID 12028910

IUPACN-tert-butyl-N'-ethylethanimidamide
SMILESCC/N=C(\C)NC(C)(C)C
InChIInChI=1S/C8H18N2/c1-6-9-7(2)10-8(3,4)5/h6H2,1-5H3,(H,9,10)
InChIKeyVFFHPIPFEAPMHP-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.81
Rot. Bonds1

About N-tert-butyl-N'-ethylethanimidamide

N-tert-butyl-N'-ethylethanimidamide (PubChem CID 12028910) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-tert-butyl-N'-ethylethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-ethylethanimidamide
PubChem CID12028910
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-tert-butyl-N'-ethylethanimidamide
SMILESCC/N=C(\C)NC(C)(C)C
InChIInChI=1S/C8H18N2/c1-6-9-7(2)10-8(3,4)5/h6H2,1-5H3,(H,9,10)
InChIKeyVFFHPIPFEAPMHP-UHFFFAOYSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
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-tert-butyl-N'-ethylethanimidamide?
The IUPAC name of N-tert-butyl-N'-ethylethanimidamide (CID 12028910) is N-tert-butyl-N'-ethylethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-ethylethanimidamide?
The canonical SMILES for N-tert-butyl-N'-ethylethanimidamide is CC/N=C(\C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-ethylethanimidamide?
The InChIKey is VFFHPIPFEAPMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-9-7(2)10-8(3,4)5/h6H2,1-5H3,(H,9,10).
What are the key properties of N-tert-butyl-N'-ethylethanimidamide?
N-tert-butyl-N'-ethylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethylethanimidamide is sourced from PubChem (CID 12028910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).