6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide

C15H28N2O2 — CID 67745445

IUPAC6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide
SMILESCC1CN(C(=O)CCCCC(N)=O)CCC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-12-10-15(2,3)8-9-17(11-12)14(19)7-5-4-6-13(16)18/h12H,4-11H2,1-3H3,(H2,16,18)
InChIKeyHHNRXRAIUXZBQU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.32
Rot. Bonds5

About 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide

6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide (PubChem CID 67745445) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide.

Molecular Properties

Compound Name6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide
PubChem CID67745445
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide
SMILESCC1CN(C(=O)CCCCC(N)=O)CCC(C)(C)C1
InChIInChI=1S/C15H28N2O2/c1-12-10-15(2,3)8-9-17(11-12)14(19)7-5-4-6-13(16)18/h12H,4-11H2,1-3H3,(H2,16,18)
InChIKeyHHNRXRAIUXZBQU-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide?
The IUPAC name of 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide (CID 67745445) is 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide.
What is the SMILES notation for 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide?
The canonical SMILES for 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide is CC1CN(C(=O)CCCCC(N)=O)CCC(C)(C)C1.
What is the InChIKey of 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide?
The InChIKey is HHNRXRAIUXZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-10-15(2,3)8-9-17(11-12)14(19)7-5-4-6-13(16)18/h12H,4-11H2,1-3H3,(H2,16,18).
What are the key properties of 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide?
6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide has a molecular weight of 268.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(3,5,5-trimethylazepan-1-yl)hexanamide is sourced from PubChem (CID 67745445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).