4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one

C15H31NO — CID 89150814

IUPAC4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one
SMILESCCC(=O)C(C)(C)CCCCNC(C)(C)CC
InChIInChI=1S/C15H31NO/c1-7-13(17)14(3,4)11-9-10-12-16-15(5,6)8-2/h16H,7-12H2,1-6H3
InChIKeyXSBWUPWFBZGUMD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.94
Rot. Bonds9

About 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one

4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one (PubChem CID 89150814) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one
PubChem CID89150814
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one
SMILESCCC(=O)C(C)(C)CCCCNC(C)(C)CC
InChIInChI=1S/C15H31NO/c1-7-13(17)14(3,4)11-9-10-12-16-15(5,6)8-2/h16H,7-12H2,1-6H3
InChIKeyXSBWUPWFBZGUMD-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.94
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

N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
methyl N-[4-(2-methylbutan-2-ylamino)butyl]carbamate;hydrochloride
CID 117068026
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
CID 159659971
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628
N'-hydroxy-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77025525
7-tert-butylsulfanyl-4,4-dimethylheptan-3-one
CID 88908641
5,5-dimethyltridecan-6-one
CID 19931387
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
7-butyl-7-methyl-1-(6-methyltridecan-6-ylamino)undecan-6-one
CID 139454044
ethyl 5,5-dimethyl-6-oxooctanoate
CID 101191402
N-ethyl-2,2-dimethylheptanamide
CID 168939290

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one?
The IUPAC name of 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one (CID 89150814) is 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one.
What is the SMILES notation for 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one?
The canonical SMILES for 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one is CCC(=O)C(C)(C)CCCCNC(C)(C)CC.
What is the InChIKey of 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one?
The InChIKey is XSBWUPWFBZGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-13(17)14(3,4)11-9-10-12-16-15(5,6)8-2/h16H,7-12H2,1-6H3.
What are the key properties of 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one?
4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one has a molecular weight of 241.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-8-(2-methylbutan-2-ylamino)octan-3-one is sourced from PubChem (CID 89150814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).