2-(1-aminopropylideneamino)-2-methylpropanamide

C7H15N3O — CID 63178130

IUPAC2-(1-aminopropylideneamino)-2-methylpropanamide
SMILESCC/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4-5(8)10-7(2,3)6(9)11/h4H2,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyOFCKCVYDXBZIRS-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.02
Rot. Bonds3

About 2-(1-aminopropylideneamino)-2-methylpropanamide

2-(1-aminopropylideneamino)-2-methylpropanamide (PubChem CID 63178130) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(1-aminopropylideneamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(1-aminopropylideneamino)-2-methylpropanamide
PubChem CID63178130
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(1-aminopropylideneamino)-2-methylpropanamide
SMILESCC/C(N)=N\C(C)(C)C(N)=O
InChIInChI=1S/C7H15N3O/c1-4-5(8)10-7(2,3)6(9)11/h4H2,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyOFCKCVYDXBZIRS-UHFFFAOYSA-N
XLogP0.02
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(1-aminopropylideneamino)-2-methylpropanamide?
The IUPAC name of 2-(1-aminopropylideneamino)-2-methylpropanamide (CID 63178130) is 2-(1-aminopropylideneamino)-2-methylpropanamide.
What is the SMILES notation for 2-(1-aminopropylideneamino)-2-methylpropanamide?
The canonical SMILES for 2-(1-aminopropylideneamino)-2-methylpropanamide is CC/C(N)=N\C(C)(C)C(N)=O.
What is the InChIKey of 2-(1-aminopropylideneamino)-2-methylpropanamide?
The InChIKey is OFCKCVYDXBZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4-5(8)10-7(2,3)6(9)11/h4H2,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-(1-aminopropylideneamino)-2-methylpropanamide?
2-(1-aminopropylideneamino)-2-methylpropanamide has a molecular weight of 157.22 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylideneamino)-2-methylpropanamide is sourced from PubChem (CID 63178130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).