N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide

C10H21N3O2 — CID 43571597

IUPACN-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide
SMILESCCCC(C)N(C)C(=O)C(=O)NCCN
InChIInChI=1S/C10H21N3O2/c1-4-5-8(2)13(3)10(15)9(14)12-7-6-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyYNOXDYSQZSFHPM-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.29
Rot. Bonds5

About N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide

N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide (PubChem CID 43571597) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide
PubChem CID43571597
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide
SMILESCCCC(C)N(C)C(=O)C(=O)NCCN
InChIInChI=1S/C10H21N3O2/c1-4-5-8(2)13(3)10(15)9(14)12-7-6-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyYNOXDYSQZSFHPM-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide (CID 43571597) is N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide is CCCC(C)N(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide?
The InChIKey is YNOXDYSQZSFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-5-8(2)13(3)10(15)9(14)12-7-6-11/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide?
N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide has a molecular weight of 215.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide is sourced from PubChem (CID 43571597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).