1-morpholin-4-yl-2-propylhexan-1-one

C13H25NO2 — CID 146231854

IUPAC1-morpholin-4-yl-2-propylhexan-1-one
SMILESCCCCC(CCC)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h12H,3-11H2,1-2H3
InChIKeyQJKKVPBYDXKESH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds6

About 1-morpholin-4-yl-2-propylhexan-1-one

1-morpholin-4-yl-2-propylhexan-1-one (PubChem CID 146231854) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-propylhexan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-propylhexan-1-one
PubChem CID146231854
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-morpholin-4-yl-2-propylhexan-1-one
SMILESCCCCC(CCC)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h12H,3-11H2,1-2H3
InChIKeyQJKKVPBYDXKESH-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 7292465
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
CID 92652719
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
CID 160748573
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-propylhexan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-propylhexan-1-one (CID 146231854) is 1-morpholin-4-yl-2-propylhexan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-propylhexan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-propylhexan-1-one is CCCCC(CCC)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-propylhexan-1-one?
The InChIKey is QJKKVPBYDXKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-7-12(6-4-2)13(15)14-8-10-16-11-9-14/h12H,3-11H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-propylhexan-1-one?
1-morpholin-4-yl-2-propylhexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-propylhexan-1-one is sourced from PubChem (CID 146231854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).