N-(4-methylpentan-2-ylideneamino)acetamide

C8H16N2O — CID 4101494

IUPACN-(4-methylpentan-2-ylideneamino)acetamide
SMILESCC(=O)NN=C(C)CC(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)5-7(3)9-10-8(4)11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyICBBZXGJZZMVNR-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.54
Rot. Bonds3

About N-(4-methylpentan-2-ylideneamino)acetamide

N-(4-methylpentan-2-ylideneamino)acetamide (PubChem CID 4101494) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(4-methylpentan-2-ylideneamino)acetamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-ylideneamino)acetamide
PubChem CID4101494
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(4-methylpentan-2-ylideneamino)acetamide
SMILESCC(=O)NN=C(C)CC(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)5-7(3)9-10-8(4)11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyICBBZXGJZZMVNR-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(4-methylpentan-2-ylideneamino)acetamide?
The IUPAC name of N-(4-methylpentan-2-ylideneamino)acetamide (CID 4101494) is N-(4-methylpentan-2-ylideneamino)acetamide.
What is the SMILES notation for N-(4-methylpentan-2-ylideneamino)acetamide?
The canonical SMILES for N-(4-methylpentan-2-ylideneamino)acetamide is CC(=O)NN=C(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-ylideneamino)acetamide?
The InChIKey is ICBBZXGJZZMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)5-7(3)9-10-8(4)11/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of N-(4-methylpentan-2-ylideneamino)acetamide?
N-(4-methylpentan-2-ylideneamino)acetamide has a molecular weight of 156.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-ylideneamino)acetamide is sourced from PubChem (CID 4101494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).