N-[(E)-5-methylhexan-2-ylideneamino]acetamide

C9H18N2O — CID 134896934

IUPACN-[(E)-5-methylhexan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)CCC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+
InChIKeyLPJAAFUETQLNCM-CSKARUKUSA-N
MW170.26 g/mol
LogP1.93
Rot. Bonds4

About N-[(E)-5-methylhexan-2-ylideneamino]acetamide

N-[(E)-5-methylhexan-2-ylideneamino]acetamide (PubChem CID 134896934) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(E)-5-methylhexan-2-ylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-5-methylhexan-2-ylideneamino]acetamide
PubChem CID134896934
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(E)-5-methylhexan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)CCC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+
InChIKeyLPJAAFUETQLNCM-CSKARUKUSA-N
XLogP1.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.93
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-[(E)-5-methylhexan-2-ylideneamino]acetamide?
The IUPAC name of N-[(E)-5-methylhexan-2-ylideneamino]acetamide (CID 134896934) is N-[(E)-5-methylhexan-2-ylideneamino]acetamide.
What is the SMILES notation for N-[(E)-5-methylhexan-2-ylideneamino]acetamide?
The canonical SMILES for N-[(E)-5-methylhexan-2-ylideneamino]acetamide is CC(=O)N/N=C(\C)CCC(C)C.
What is the InChIKey of N-[(E)-5-methylhexan-2-ylideneamino]acetamide?
The InChIKey is LPJAAFUETQLNCM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7H,5-6H2,1-4H3,(H,11,12)/b10-8+.
What are the key properties of N-[(E)-5-methylhexan-2-ylideneamino]acetamide?
N-[(E)-5-methylhexan-2-ylideneamino]acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methylhexan-2-ylideneamino]acetamide is sourced from PubChem (CID 134896934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).