2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one

C13H25NO2 — CID 107890182

IUPAC2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
SMILESCCCNC1COCC1C(=O)C(C)CCC
InChIInChI=1S/C13H25NO2/c1-4-6-10(3)13(15)11-8-16-9-12(11)14-7-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyUMQLOBPAOKUKKR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.01
Rot. Bonds7

About 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one

2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one (PubChem CID 107890182) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
PubChem CID107890182
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
SMILESCCCNC1COCC1C(=O)C(C)CCC
InChIInChI=1S/C13H25NO2/c1-4-6-10(3)13(15)11-8-16-9-12(11)14-7-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyUMQLOBPAOKUKKR-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
4,4,4-Trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
CID 116561522
5,5,5-Trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587834
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-5,5,5-trifluoropentan-1-one
CID 116588116
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
1-[(3R,4R)-4-heptoxypyrrolidin-3-yl]dodecan-1-one
CID 166872376
2-Methyl-1-(4-propoxypyrrolidin-2-yl)propan-1-one
CID 172119966
1-[4-(Ethylamino)oxolan-3-yl]oct-7-en-1-one
CID 107010922
(4-Methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
CID 107138329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The IUPAC name of 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one (CID 107890182) is 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The canonical SMILES for 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one is CCCNC1COCC1C(=O)C(C)CCC.
What is the InChIKey of 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The InChIKey is UMQLOBPAOKUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-10(3)13(15)11-8-16-9-12(11)14-7-5-2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one is sourced from PubChem (CID 107890182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).