1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one

C10H21NO3 — CID 62041400

IUPAC1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
SMILESCCCC(=O)CN(C)CC(O)COC
InChIInChI=1S/C10H21NO3/c1-4-5-9(12)6-11(2)7-10(13)8-14-3/h10,13H,4-8H2,1-3H3
InChIKeyUFYXLGCHUQQBFI-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.29
Rot. Bonds8

About 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one

1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one (PubChem CID 62041400) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
PubChem CID62041400
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
SMILESCCCC(=O)CN(C)CC(O)COC
InChIInChI=1S/C10H21NO3/c1-4-5-9(12)6-11(2)7-10(13)8-14-3/h10,13H,4-8H2,1-3H3
InChIKeyUFYXLGCHUQQBFI-UHFFFAOYSA-N
XLogP0.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol
CID 66038780
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
1-[methyl(3-methylbutyl)amino]pentan-2-one
CID 62041599
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-1-morpholin-4-ylethanone
CID 62013792
1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol
CID 106439852
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62013810
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one?
The IUPAC name of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one (CID 62041400) is 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one.
What is the SMILES notation for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one?
The canonical SMILES for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one is CCCC(=O)CN(C)CC(O)COC.
What is the InChIKey of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one?
The InChIKey is UFYXLGCHUQQBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-9(12)6-11(2)7-10(13)8-14-3/h10,13H,4-8H2,1-3H3.
What are the key properties of 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one?
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one is sourced from PubChem (CID 62041400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).