3-amino-2,3-bis(propan-2-yloxyimino)propanamide

C9H18N4O3 — CID 131732894

IUPAC3-amino-2,3-bis(propan-2-yloxyimino)propanamide
SMILESCC(C)ON=C(N)C(=NOC(C)C)C(N)=O
InChIInChI=1S/C9H18N4O3/c1-5(2)15-12-7(9(11)14)8(10)13-16-6(3)4/h5-6H,1-4H3,(H2,10,13)(H2,11,14)
InChIKeyDTGVJDQTZPBPOA-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.05
Rot. Bonds6

About 3-amino-2,3-bis(propan-2-yloxyimino)propanamide

3-amino-2,3-bis(propan-2-yloxyimino)propanamide (PubChem CID 131732894) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-2,3-bis(propan-2-yloxyimino)propanamide.

Molecular Properties

Compound Name3-amino-2,3-bis(propan-2-yloxyimino)propanamide
PubChem CID131732894
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name3-amino-2,3-bis(propan-2-yloxyimino)propanamide
SMILESCC(C)ON=C(N)C(=NOC(C)C)C(N)=O
InChIInChI=1S/C9H18N4O3/c1-5(2)15-12-7(9(11)14)8(10)13-16-6(3)4/h5-6H,1-4H3,(H2,10,13)(H2,11,14)
InChIKeyDTGVJDQTZPBPOA-UHFFFAOYSA-N
XLogP-0.05
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-bis(propan-2-yloxyimino)propanamide?
The IUPAC name of 3-amino-2,3-bis(propan-2-yloxyimino)propanamide (CID 131732894) is 3-amino-2,3-bis(propan-2-yloxyimino)propanamide.
What is the SMILES notation for 3-amino-2,3-bis(propan-2-yloxyimino)propanamide?
The canonical SMILES for 3-amino-2,3-bis(propan-2-yloxyimino)propanamide is CC(C)ON=C(N)C(=NOC(C)C)C(N)=O.
What is the InChIKey of 3-amino-2,3-bis(propan-2-yloxyimino)propanamide?
The InChIKey is DTGVJDQTZPBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-5(2)15-12-7(9(11)14)8(10)13-16-6(3)4/h5-6H,1-4H3,(H2,10,13)(H2,11,14).
What are the key properties of 3-amino-2,3-bis(propan-2-yloxyimino)propanamide?
3-amino-2,3-bis(propan-2-yloxyimino)propanamide has a molecular weight of 230.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-bis(propan-2-yloxyimino)propanamide is sourced from PubChem (CID 131732894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).