(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one

C12H23NO2 — CID 165399162

IUPAC(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
SMILESCCC(C)C(=O)[C@@H](C)CN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-10(2)12(14)11(3)9-13-5-7-15-8-6-13/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyBDFFPCDXHFAWFF-DTIOYNMSSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds5

About (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one

(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one (PubChem CID 165399162) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
PubChem CID165399162
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
SMILESCCC(C)C(=O)[C@@H](C)CN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-10(2)12(14)11(3)9-13-5-7-15-8-6-13/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyBDFFPCDXHFAWFF-DTIOYNMSSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
ethane;4-(2-methylbutyl)morpholine
CID 142525427
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
methyl 2-(morpholin-4-ylmethyl)butanoate
CID 117242059
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-chlorobutyl (2R)-2-methyl-3-morpholin-4-ylpropanoate
CID 40543841
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one?
The IUPAC name of (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one (CID 165399162) is (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one.
What is the SMILES notation for (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one?
The canonical SMILES for (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one is CCC(C)C(=O)[C@@H](C)CN1CCOCC1.
What is the InChIKey of (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one?
The InChIKey is BDFFPCDXHFAWFF-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10(2)12(14)11(3)9-13-5-7-15-8-6-13/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one?
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one has a molecular weight of 213.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 165399162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).