1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one

C12H24N2O2 — CID 115713469

IUPAC1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
SMILESCCCC(C)NCCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-11(2)13-6-5-12(15)14-7-9-16-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyNWWXKCMXTAQMOY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one

1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one (PubChem CID 115713469) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
PubChem CID115713469
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
SMILESCCCC(C)NCCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-11(2)13-6-5-12(15)14-7-9-16-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyNWWXKCMXTAQMOY-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
CID 112696580
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
N'-(3-morpholin-4-yl-3-oxopropyl)propanehydrazide
CID 67586410
3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109013070
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one (CID 115713469) is 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one is CCCC(C)NCCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one?
The InChIKey is NWWXKCMXTAQMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-11(2)13-6-5-12(15)14-7-9-16-10-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one?
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one is sourced from PubChem (CID 115713469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).