(4S)-4-(diethylamino)-8-ethyldecan-3-one

C16H33NO — CID 89315835

IUPAC(4S)-4-(diethylamino)-8-ethyldecan-3-one
SMILESCCC(=O)[C@H](CCCC(CC)CC)N(CC)CC
InChIInChI=1S/C16H33NO/c1-6-14(7-2)12-11-13-15(16(18)8-3)17(9-4)10-5/h14-15H,6-13H2,1-5H3/t15-/m0/s1
InChIKeyYZCXZBMVTFYHAE-HNNXBMFYSA-N
MW255.45 g/mol
LogP4.28
Rot. Bonds11

About (4S)-4-(diethylamino)-8-ethyldecan-3-one

(4S)-4-(diethylamino)-8-ethyldecan-3-one (PubChem CID 89315835) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (4S)-4-(diethylamino)-8-ethyldecan-3-one.

Molecular Properties

Compound Name(4S)-4-(diethylamino)-8-ethyldecan-3-one
PubChem CID89315835
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(4S)-4-(diethylamino)-8-ethyldecan-3-one
SMILESCCC(=O)[C@H](CCCC(CC)CC)N(CC)CC
InChIInChI=1S/C16H33NO/c1-6-14(7-2)12-11-13-15(16(18)8-3)17(9-4)10-5/h14-15H,6-13H2,1-5H3/t15-/m0/s1
InChIKeyYZCXZBMVTFYHAE-HNNXBMFYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-bis(diethylamino)octanedioic acid
CID 175151576
3,7-diethylnonane
CID 22089120
(4S,6S)-4-(diethylamino)-6-methylnonan-3-one
CID 89315848
2-(diethylamino)heptanoic acid
CID 43803668
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
3-(diethylamino)heptadecan-4-one
CID 87068186
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
(3S)-3-(diethylamino)-5-methylheptan-4-one
CID 130436608
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
CID 59668998
buta-1,3-diene;2-(diethylamino)butanoyl 2-(diethylamino)butanoate
CID 134229653
N-(3-ethylpentyl)-N-methylpropanamide
CID 145216447

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(diethylamino)-8-ethyldecan-3-one?
The IUPAC name of (4S)-4-(diethylamino)-8-ethyldecan-3-one (CID 89315835) is (4S)-4-(diethylamino)-8-ethyldecan-3-one.
What is the SMILES notation for (4S)-4-(diethylamino)-8-ethyldecan-3-one?
The canonical SMILES for (4S)-4-(diethylamino)-8-ethyldecan-3-one is CCC(=O)[C@H](CCCC(CC)CC)N(CC)CC.
What is the InChIKey of (4S)-4-(diethylamino)-8-ethyldecan-3-one?
The InChIKey is YZCXZBMVTFYHAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-14(7-2)12-11-13-15(16(18)8-3)17(9-4)10-5/h14-15H,6-13H2,1-5H3/t15-/m0/s1.
What are the key properties of (4S)-4-(diethylamino)-8-ethyldecan-3-one?
(4S)-4-(diethylamino)-8-ethyldecan-3-one has a molecular weight of 255.45 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(diethylamino)-8-ethyldecan-3-one is sourced from PubChem (CID 89315835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).