1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one

C16H32N2O — CID 106708430

IUPAC1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
SMILESCC(C)(CN)CCCCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C16H32N2O/c1-15(2)9-7-14(19)18(12-10-15)11-6-5-8-16(3,4)13-17/h5-13,17H2,1-4H3
InChIKeyJGXHZGKTTKGOHQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one

1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one (PubChem CID 106708430) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
PubChem CID106708430
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one
SMILESCC(C)(CN)CCCCN1CCC(C)(C)CCC1=O
InChIInChI=1S/C16H32N2O/c1-15(2)9-7-14(19)18(12-10-15)11-6-5-8-16(3,4)13-17/h5-13,17H2,1-4H3
InChIKeyJGXHZGKTTKGOHQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
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

1-(4-amino-3,3-dimethylbutyl)-5,5-dimethylazepan-2-one
CID 65286653
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
CID 106708421
4-(5,5-dimethyl-2-oxoazepan-1-yl)butanethioamide
CID 65284670
5,5-dimethyl-1-[3-(2-methylpropylamino)propyl]azepan-2-one
CID 65284086
5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
CID 65284281
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431
1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
CID 103934843
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
CID 106708160
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
CID 79469345
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-(2-hydroxy-3-methoxy-3-methylbutyl)-5,5-dimethylazepan-2-one
CID 114228784

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one (CID 106708430) is 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one is CC(C)(CN)CCCCN1CCC(C)(C)CCC1=O.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one?
The InChIKey is JGXHZGKTTKGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)9-7-14(19)18(12-10-15)11-6-5-8-16(3,4)13-17/h5-13,17H2,1-4H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one?
1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one has a molecular weight of 268.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)-5,5-dimethylazepan-2-one is sourced from PubChem (CID 106708430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).