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

C8H16N2O — CID 58663273

IUPACN-propan-2-yl-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C/C(=O)NC(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)9-5-8(11)10-7(3)4/h5-7H,1-4H3,(H,10,11)/b9-5+
InChIKeyDYRBWAAXAXWBML-WEVVVXLNSA-N
MW156.23 g/mol
LogP0.99
Rot. Bonds3

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

N-propan-2-yl-2-propan-2-yliminoacetamide (PubChem CID 58663273) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-propan-2-yl-2-propan-2-yliminoacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-propan-2-yliminoacetamide
PubChem CID58663273
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-propan-2-yl-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C/C(=O)NC(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)9-5-8(11)10-7(3)4/h5-7H,1-4H3,(H,10,11)/b9-5+
InChIKeyDYRBWAAXAXWBML-WEVVVXLNSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-propan-2-yliminoacetamide?
The IUPAC name of N-propan-2-yl-2-propan-2-yliminoacetamide (CID 58663273) is N-propan-2-yl-2-propan-2-yliminoacetamide.
What is the SMILES notation for N-propan-2-yl-2-propan-2-yliminoacetamide?
The canonical SMILES for N-propan-2-yl-2-propan-2-yliminoacetamide is CC(C)/N=C/C(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-propan-2-yliminoacetamide?
The InChIKey is DYRBWAAXAXWBML-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)9-5-8(11)10-7(3)4/h5-7H,1-4H3,(H,10,11)/b9-5+.
What are the key properties of N-propan-2-yl-2-propan-2-yliminoacetamide?
N-propan-2-yl-2-propan-2-yliminoacetamide has a molecular weight of 156.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propan-2-yliminoacetamide is sourced from PubChem (CID 58663273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).