N-(2,4-dimethylpentan-3-ylideneamino)acetamide

C9H18N2O — CID 3552289

IUPACN-(2,4-dimethylpentan-3-ylideneamino)acetamide
SMILESCC(=O)NN=C(C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)9(7(3)4)11-10-8(5)12/h6-7H,1-5H3,(H,10,12)
InChIKeyPLNZXGRQLGGDAV-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.79
Rot. Bonds3

About N-(2,4-dimethylpentan-3-ylideneamino)acetamide

N-(2,4-dimethylpentan-3-ylideneamino)acetamide (PubChem CID 3552289) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-ylideneamino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-ylideneamino)acetamide
PubChem CID3552289
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(2,4-dimethylpentan-3-ylideneamino)acetamide
SMILESCC(=O)NN=C(C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)9(7(3)4)11-10-8(5)12/h6-7H,1-5H3,(H,10,12)
InChIKeyPLNZXGRQLGGDAV-UHFFFAOYSA-N
XLogP1.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.79
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-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)acetamide (CID 3552289) is N-(2,4-dimethylpentan-3-ylideneamino)acetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-ylideneamino)acetamide is CC(=O)NN=C(C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The InChIKey is PLNZXGRQLGGDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)9(7(3)4)11-10-8(5)12/h6-7H,1-5H3,(H,10,12).
What are the key properties of N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
N-(2,4-dimethylpentan-3-ylideneamino)acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-ylideneamino)acetamide is sourced from PubChem (CID 3552289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).