7-[methyl(4-methylhexyl)amino]azepan-2-one

C14H28N2O — CID 166963397

IUPAC7-[methyl(4-methylhexyl)amino]azepan-2-one
SMILESCCC(C)CCCN(C)C1CCCCC(=O)N1
InChIInChI=1S/C14H28N2O/c1-4-12(2)8-7-11-16(3)13-9-5-6-10-14(17)15-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeySPMLIHOIGWZJMH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds6

About 7-[methyl(4-methylhexyl)amino]azepan-2-one

7-[methyl(4-methylhexyl)amino]azepan-2-one (PubChem CID 166963397) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-[methyl(4-methylhexyl)amino]azepan-2-one.

Molecular Properties

Compound Name7-[methyl(4-methylhexyl)amino]azepan-2-one
PubChem CID166963397
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name7-[methyl(4-methylhexyl)amino]azepan-2-one
SMILESCCC(C)CCCN(C)C1CCCCC(=O)N1
InChIInChI=1S/C14H28N2O/c1-4-12(2)8-7-11-16(3)13-9-5-6-10-14(17)15-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeySPMLIHOIGWZJMH-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[methyl(4-methylhexyl)amino]azepan-2-one?
The IUPAC name of 7-[methyl(4-methylhexyl)amino]azepan-2-one (CID 166963397) is 7-[methyl(4-methylhexyl)amino]azepan-2-one.
What is the SMILES notation for 7-[methyl(4-methylhexyl)amino]azepan-2-one?
The canonical SMILES for 7-[methyl(4-methylhexyl)amino]azepan-2-one is CCC(C)CCCN(C)C1CCCCC(=O)N1.
What is the InChIKey of 7-[methyl(4-methylhexyl)amino]azepan-2-one?
The InChIKey is SPMLIHOIGWZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-12(2)8-7-11-16(3)13-9-5-6-10-14(17)15-13/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 7-[methyl(4-methylhexyl)amino]azepan-2-one?
7-[methyl(4-methylhexyl)amino]azepan-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methyl(4-methylhexyl)amino]azepan-2-one is sourced from PubChem (CID 166963397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).