2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide

C8H17N3O — CID 13205874

IUPAC2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C(\N)C(=O)NC(C)C
InChIInChI=1S/C8H17N3O/c1-5(2)10-7(9)8(12)11-6(3)4/h5-6H,1-4H3,(H2,9,10)(H,11,12)
InChIKeyPSFNGDSFVWYMBF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide

2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide (PubChem CID 13205874) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide.

Molecular Properties

Compound Name2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide
PubChem CID13205874
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C(\N)C(=O)NC(C)C
InChIInChI=1S/C8H17N3O/c1-5(2)10-7(9)8(12)11-6(3)4/h5-6H,1-4H3,(H2,9,10)(H,11,12)
InChIKeyPSFNGDSFVWYMBF-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
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-amino-N-propan-2-yl-2-propan-2-yliminoacetamide?
The IUPAC name of 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide (CID 13205874) is 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide.
What is the SMILES notation for 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide?
The canonical SMILES for 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide is CC(C)/N=C(\N)C(=O)NC(C)C.
What is the InChIKey of 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide?
The InChIKey is PSFNGDSFVWYMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5(2)10-7(9)8(12)11-6(3)4/h5-6H,1-4H3,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide?
2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-yl-2-propan-2-yliminoacetamide is sourced from PubChem (CID 13205874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).