N'-ethyl-N-propan-2-ylethanimidamide

C7H16N2 — CID 21064634

IUPACN'-ethyl-N-propan-2-ylethanimidamide
SMILESCC/N=C(\C)NC(C)C
InChIInChI=1S/C7H16N2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3,(H,8,9)
InChIKeySDTBYEQSWJDTJA-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.42
Rot. Bonds2

About N'-ethyl-N-propan-2-ylethanimidamide

N'-ethyl-N-propan-2-ylethanimidamide (PubChem CID 21064634) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-ethyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-propan-2-ylethanimidamide
PubChem CID21064634
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-ethyl-N-propan-2-ylethanimidamide
SMILESCC/N=C(\C)NC(C)C
InChIInChI=1S/C7H16N2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3,(H,8,9)
InChIKeySDTBYEQSWJDTJA-UHFFFAOYSA-N
XLogP1.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.42
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'-ethyl-N-propan-2-ylethanimidamide?
The IUPAC name of N'-ethyl-N-propan-2-ylethanimidamide (CID 21064634) is N'-ethyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-ethyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-ethyl-N-propan-2-ylethanimidamide is CC/N=C(\C)NC(C)C.
What is the InChIKey of N'-ethyl-N-propan-2-ylethanimidamide?
The InChIKey is SDTBYEQSWJDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-8-7(4)9-6(2)3/h6H,5H2,1-4H3,(H,8,9).
What are the key properties of N'-ethyl-N-propan-2-ylethanimidamide?
N'-ethyl-N-propan-2-ylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 21064634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).