N-ethyl-N-methylethanimidamide

C5H12N2 — CID 19782027

IUPACN-ethyl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CC
InChIInChI=1S/C5H12N2/c1-4-7(3)5(2)6/h6H,4H2,1-3H3/b6-5+
InChIKeyUKKGJYDDYXFVNP-AATRIKPKSA-N
MW100.16 g/mol
LogP0.94
Rot. Bonds1

About N-ethyl-N-methylethanimidamide

N-ethyl-N-methylethanimidamide (PubChem CID 19782027) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-ethyl-N-methylethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methylethanimidamide
PubChem CID19782027
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-ethyl-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CC
InChIInChI=1S/C5H12N2/c1-4-7(3)5(2)6/h6H,4H2,1-3H3/b6-5+
InChIKeyUKKGJYDDYXFVNP-AATRIKPKSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.94
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-methylethanimidamide?
The IUPAC name of N-ethyl-N-methylethanimidamide (CID 19782027) is N-ethyl-N-methylethanimidamide.
What is the SMILES notation for N-ethyl-N-methylethanimidamide?
The canonical SMILES for N-ethyl-N-methylethanimidamide is [H]/N=C(\C)N(C)CC.
What is the InChIKey of N-ethyl-N-methylethanimidamide?
The InChIKey is UKKGJYDDYXFVNP-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-7(3)5(2)6/h6H,4H2,1-3H3/b6-5+.
What are the key properties of N-ethyl-N-methylethanimidamide?
N-ethyl-N-methylethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanimidamide is sourced from PubChem (CID 19782027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).