6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione

C16H30INO2 — CID 166714269

IUPAC6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)C(CCC(=O)C(C)(C)I)N(C)C(C)(C)C
InChIInChI=1S/C16H30INO2/c1-11(2)14(20)12(18(8)15(3,4)5)9-10-13(19)16(6,7)17/h11-12H,9-10H2,1-8H3
InChIKeyOOSMLRFGMWFMOX-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.87
Rot. Bonds7

About 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione

6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione (PubChem CID 166714269) has the molecular formula C16H30INO2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione.

Molecular Properties

Compound Name6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione
PubChem CID166714269
Molecular FormulaC16H30INO2
Molecular Weight395.33 g/mol
Exact Mass395.13
IUPAC Name6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)C(CCC(=O)C(C)(C)I)N(C)C(C)(C)C
InChIInChI=1S/C16H30INO2/c1-11(2)14(20)12(18(8)15(3,4)5)9-10-13(19)16(6,7)17/h11-12H,9-10H2,1-8H3
InChIKeyOOSMLRFGMWFMOX-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(methyl)amino]-6,6-dimethyl-5-oxoheptanamide
CID 170423984
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
CID 146233687
(4S,5S)-4-[tert-butyl(methyl)amino]-2,5-dimethylheptan-3-one
CID 177276642
(2R)-2-[tert-butyl(methyl)amino]-4,4-dimethyl-1-sulfanylpentan-3-one
CID 176616481
(3S)-3-[tert-butyl(methyl)amino]-5,5-dimethyl-4-oxohexanamide
CID 176616493
4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88964321
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88918874
4-hydroxy-2,6,6-trimethylheptan-3-one
CID 134296444
(4R)-4-hydroxy-2,6,6-trimethylheptan-3-one
CID 164836555
2-[bis(3,3-dimethyl-2-oxobutyl)amino]-1-(tert-butylamino)-4-methylpentan-3-one
CID 134310152
(2R)-2-[tert-butyl(methyl)amino]-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 138500128

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione?
The IUPAC name of 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione (CID 166714269) is 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione.
What is the SMILES notation for 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione?
The canonical SMILES for 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione is CC(C)C(=O)C(CCC(=O)C(C)(C)I)N(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione?
The InChIKey is OOSMLRFGMWFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30INO2/c1-11(2)14(20)12(18(8)15(3,4)5)9-10-13(19)16(6,7)17/h11-12H,9-10H2,1-8H3.
What are the key properties of 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione?
6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione has a molecular weight of 395.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(methyl)amino]-2-iodo-2,8-dimethylnonane-3,7-dione is sourced from PubChem (CID 166714269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).