(4S,6S)-4-(diethylamino)-6-methylnonan-3-one

C14H29NO — CID 89315848

IUPAC(4S,6S)-4-(diethylamino)-6-methylnonan-3-one
SMILESCCC[C@H](C)C[C@@H](C(=O)CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-6-10-12(5)11-13(14(16)7-2)15(8-3)9-4/h12-13H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyITUKWRMPOJAMKG-STQMWFEESA-N
MW227.39 g/mol
LogP3.50
Rot. Bonds9

About (4S,6S)-4-(diethylamino)-6-methylnonan-3-one

(4S,6S)-4-(diethylamino)-6-methylnonan-3-one (PubChem CID 89315848) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (4S,6S)-4-(diethylamino)-6-methylnonan-3-one.

Molecular Properties

Compound Name(4S,6S)-4-(diethylamino)-6-methylnonan-3-one
PubChem CID89315848
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(4S,6S)-4-(diethylamino)-6-methylnonan-3-one
SMILESCCC[C@H](C)C[C@@H](C(=O)CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-6-10-12(5)11-13(14(16)7-2)15(8-3)9-4/h12-13H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyITUKWRMPOJAMKG-STQMWFEESA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(diethylamino)pentanoic acid
CID 30030442
(4S)-4-(diethylamino)-8-ethyldecan-3-one
CID 89315835
barium(2+);hydride;2-(2-methylpentyl)propanedioic acid
CID 174968550
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
2-methylpentane;2-methylpentan-3-one
CID 160798944
(4R)-4-methylheptan-3-one
CID 12696684
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
(2S)-3-oxo-2-propylpentanoic acid
CID 40565903
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
(4R)-4-propan-2-ylheptan-3-one
CID 95003187
4,5-dimethyloctan-3-one
CID 107895813
2-(diethylamino)-3-oxopentanenitrile
CID 22288438

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-(diethylamino)-6-methylnonan-3-one?
The IUPAC name of (4S,6S)-4-(diethylamino)-6-methylnonan-3-one (CID 89315848) is (4S,6S)-4-(diethylamino)-6-methylnonan-3-one.
What is the SMILES notation for (4S,6S)-4-(diethylamino)-6-methylnonan-3-one?
The canonical SMILES for (4S,6S)-4-(diethylamino)-6-methylnonan-3-one is CCC[C@H](C)C[C@@H](C(=O)CC)N(CC)CC.
What is the InChIKey of (4S,6S)-4-(diethylamino)-6-methylnonan-3-one?
The InChIKey is ITUKWRMPOJAMKG-STQMWFEESA-N. The full InChI is InChI=1S/C14H29NO/c1-6-10-12(5)11-13(14(16)7-2)15(8-3)9-4/h12-13H,6-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-4-(diethylamino)-6-methylnonan-3-one?
(4S,6S)-4-(diethylamino)-6-methylnonan-3-one has a molecular weight of 227.39 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(diethylamino)-6-methylnonan-3-one is sourced from PubChem (CID 89315848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).