N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide

C10H19N3O2 — CID 123259599

IUPACN'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-6(2)12-7(14)8(15)13-9(11)10(3,4)5/h6H,1-5H3,(H,12,14)(H2,11,13,15)
InChIKeyDWFCOYYMCLXWQN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.44
Rot. Bonds1

About N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide

N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide (PubChem CID 123259599) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
PubChem CID123259599
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)/N=C(\N)C(C)(C)C
InChIInChI=1S/C10H19N3O2/c1-6(2)12-7(14)8(15)13-9(11)10(3,4)5/h6H,1-5H3,(H,12,14)(H2,11,13,15)
InChIKeyDWFCOYYMCLXWQN-UHFFFAOYSA-N
XLogP0.44
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide?
The IUPAC name of N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide (CID 123259599) is N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide.
What is the SMILES notation for N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide?
The canonical SMILES for N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide?
The InChIKey is DWFCOYYMCLXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)12-7(14)8(15)13-9(11)10(3,4)5/h6H,1-5H3,(H,12,14)(H2,11,13,15).
What are the key properties of N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide?
N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide has a molecular weight of 213.28 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide is sourced from PubChem (CID 123259599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).