N,3,5-trimethylhex-5-enamide

C9H17NO — CID 87280957

IUPACN,3,5-trimethylhex-5-enamide
SMILESC=C(C)CC(C)CC(=O)NC
InChIInChI=1S/C9H17NO/c1-7(2)5-8(3)6-9(11)10-4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyALFVBMYAFJFWSS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds4

About N,3,5-trimethylhex-5-enamide

N,3,5-trimethylhex-5-enamide (PubChem CID 87280957) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,3,5-trimethylhex-5-enamide.

Molecular Properties

Compound NameN,3,5-trimethylhex-5-enamide
PubChem CID87280957
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,3,5-trimethylhex-5-enamide
SMILESC=C(C)CC(C)CC(=O)NC
InChIInChI=1S/C9H17NO/c1-7(2)5-8(3)6-9(11)10-4/h8H,1,5-6H2,2-4H3,(H,10,11)
InChIKeyALFVBMYAFJFWSS-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylhex-5-enamide?
The IUPAC name of N,3,5-trimethylhex-5-enamide (CID 87280957) is N,3,5-trimethylhex-5-enamide.
What is the SMILES notation for N,3,5-trimethylhex-5-enamide?
The canonical SMILES for N,3,5-trimethylhex-5-enamide is C=C(C)CC(C)CC(=O)NC.
What is the InChIKey of N,3,5-trimethylhex-5-enamide?
The InChIKey is ALFVBMYAFJFWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-8(3)6-9(11)10-4/h8H,1,5-6H2,2-4H3,(H,10,11).
What are the key properties of N,3,5-trimethylhex-5-enamide?
N,3,5-trimethylhex-5-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylhex-5-enamide is sourced from PubChem (CID 87280957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).