N-(1-amino-2-methylpropylidene)-2-methylpropanamide

C8H16N2O — CID 129203532

IUPACN-(1-amino-2-methylpropylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(/N)C(C)C
InChIInChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11)
InChIKeyUJPXKPMYJCVFCB-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.18
Rot. Bonds2

About N-(1-amino-2-methylpropylidene)-2-methylpropanamide

N-(1-amino-2-methylpropylidene)-2-methylpropanamide (PubChem CID 129203532) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)-2-methylpropanamide
PubChem CID129203532
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(1-amino-2-methylpropylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(/N)C(C)C
InChIInChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11)
InChIKeyUJPXKPMYJCVFCB-UHFFFAOYSA-N
XLogP1.18
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(1-amino-2-methylpropylidene)-2-methylpropanamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)-2-methylpropanamide (CID 129203532) is N-(1-amino-2-methylpropylidene)-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)-2-methylpropanamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)-2-methylpropanamide is CC(C)C(=O)/N=C(/N)C(C)C.
What is the InChIKey of N-(1-amino-2-methylpropylidene)-2-methylpropanamide?
The InChIKey is UJPXKPMYJCVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(2)7(9)10-8(11)6(3)4/h5-6H,1-4H3,(H2,9,10,11).
What are the key properties of N-(1-amino-2-methylpropylidene)-2-methylpropanamide?
N-(1-amino-2-methylpropylidene)-2-methylpropanamide has a molecular weight of 156.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)-2-methylpropanamide is sourced from PubChem (CID 129203532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).