7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one

C17H35NO — CID 144923791

IUPAC7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one
SMILESCC(C)C(C)(CC(C)(C)CC(=O)C(C)(C)C)N(C)C
InChIInChI=1S/C17H35NO/c1-13(2)17(8,18(9)10)12-16(6,7)11-14(19)15(3,4)5/h13H,11-12H2,1-10H3
InChIKeyABMXFJZNFXHZTK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.38
Rot. Bonds6

About 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one

7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one (PubChem CID 144923791) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one.

Molecular Properties

Compound Name7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one
PubChem CID144923791
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one
SMILESCC(C)C(C)(CC(C)(C)CC(=O)C(C)(C)C)N(C)C
InChIInChI=1S/C17H35NO/c1-13(2)17(8,18(9)10)12-16(6,7)11-14(19)15(3,4)5/h13H,11-12H2,1-10H3
InChIKeyABMXFJZNFXHZTK-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[ethyl(methyl)amino]-3,3-dimethylbutan-2-one
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CID 87823120
1-[butan-2-yl(methyl)amino]-4,4-dimethylpentan-3-one
CID 62625289
8-(tert-butylamino)-5-ethyl-2,2,5,7,7-pentamethyloctan-3-one
CID 176560184
5-iodo-2,2-dimethylhexan-3-one
CID 22934221
(2R)-2-hydroxy-2,5,5-trimethyl-4-oxohexanoic acid
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CID 11012860

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one?
The IUPAC name of 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one (CID 144923791) is 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one.
What is the SMILES notation for 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one?
The canonical SMILES for 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one is CC(C)C(C)(CC(C)(C)CC(=O)C(C)(C)C)N(C)C.
What is the InChIKey of 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one?
The InChIKey is ABMXFJZNFXHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(2)17(8,18(9)10)12-16(6,7)11-14(19)15(3,4)5/h13H,11-12H2,1-10H3.
What are the key properties of 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one?
7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one has a molecular weight of 269.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one is sourced from PubChem (CID 144923791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).