5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one

C15H30N2O — CID 65284281

IUPAC5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
SMILESCNC(C)CCCCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C15H30N2O/c1-13(16-4)7-5-6-11-17-12-10-15(2,3)9-8-14(17)18/h13,16H,5-12H2,1-4H3
InChIKeyJIXOBAMSJMMDIC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds6

About 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one

5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one (PubChem CID 65284281) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
PubChem CID65284281
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
SMILESCNC(C)CCCCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C15H30N2O/c1-13(16-4)7-5-6-11-17-12-10-15(2,3)9-8-14(17)18/h13,16H,5-12H2,1-4H3
InChIKeyJIXOBAMSJMMDIC-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
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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Related Compounds

5,5-dimethyl-1-[3-(2-methylpropylamino)propyl]azepan-2-one
CID 65284086
4,4-dimethyl-1-[4-(methylamino)pentyl]piperidine-2,6-dione
CID 55156157
1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
CID 106708430
1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
CID 103934843
4-(5,5-dimethyl-2-oxoazepan-1-yl)butanethioamide
CID 65284670
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
CID 104680063
1-(4-amino-3,3-dimethylbutyl)-5,5-dimethylazepan-2-one
CID 65286653
5,5-dimethyl-1-(oxiran-2-ylmethyl)azepan-2-one
CID 65284040
4,4-dimethyl-1-pent-4-ynylpiperidin-2-one
CID 131115488
1-[2-[2-(ethylamino)cyclopentyl]ethyl]-5,5-dimethylazepan-2-one
CID 79572543
4-(5,5-dimethyl-2-oxoazepan-1-yl)-3-methylbut-2-enoic acid
CID 77064595

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one?
The IUPAC name of 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one (CID 65284281) is 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one.
What is the SMILES notation for 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one?
The canonical SMILES for 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one is CNC(C)CCCCN1CCC(C)(C)CCC1=O.
What is the InChIKey of 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one?
The InChIKey is JIXOBAMSJMMDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(16-4)7-5-6-11-17-12-10-15(2,3)9-8-14(17)18/h13,16H,5-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one?
5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one is sourced from PubChem (CID 65284281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).