N-tert-butylhex-5-enamide

C10H19NO — CID 15640339

IUPACN-tert-butylhex-5-enamide
SMILESC=CCCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-8-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyORRQSBYUPUAACA-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds4

About N-tert-butylhex-5-enamide

N-tert-butylhex-5-enamide (PubChem CID 15640339) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-tert-butylhex-5-enamide.

Molecular Properties

Compound NameN-tert-butylhex-5-enamide
PubChem CID15640339
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-tert-butylhex-5-enamide
SMILESC=CCCCC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-7-8-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyORRQSBYUPUAACA-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylhex-5-enamide?
The IUPAC name of N-tert-butylhex-5-enamide (CID 15640339) is N-tert-butylhex-5-enamide.
What is the SMILES notation for N-tert-butylhex-5-enamide?
The canonical SMILES for N-tert-butylhex-5-enamide is C=CCCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylhex-5-enamide?
The InChIKey is ORRQSBYUPUAACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-7-8-9(12)11-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-tert-butylhex-5-enamide?
N-tert-butylhex-5-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylhex-5-enamide is sourced from PubChem (CID 15640339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).