1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone

C13H23NO3 — CID 145467842

IUPAC1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1CN(C)C1CC(C)OC(O)C1
InChIInChI=1S/C13H23NO3/c1-8-4-11(6-13(16)17-8)14(3)7-10-5-12(10)9(2)15/h8,10-13,16H,4-7H2,1-3H3
InChIKeyFJZJAWGTHXRQCN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds4

About 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone

1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone (PubChem CID 145467842) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone
PubChem CID145467842
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1CN(C)C1CC(C)OC(O)C1
InChIInChI=1S/C13H23NO3/c1-8-4-11(6-13(16)17-8)14(3)7-10-5-12(10)9(2)15/h8,10-13,16H,4-7H2,1-3H3
InChIKeyFJZJAWGTHXRQCN-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(6R)-2-hydroxy-6-methyloxan-4-yl]-methylcarbamic acid
CID 143853528
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-2-ol
CID 143476132
2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221459
(2R)-4,6-dimethyloxan-2-ol
CID 142116366
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042998
1-[2-[(dimethylamino)methyl]-3-methylcyclopentyl]ethanone
CID 121222825
3-[cyclopropylmethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675794
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221615
2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62610260
1-[(2S,3S,5S)-2,5-dimethylpyrrolidin-3-yl]ethanone
CID 102162628
4-[(2-hydroxy-6-methyloxan-4-yl)-methylamino]-N-[2-(4-pyridin-3-ylphenoxy)ethyl]butanamide
CID 145467108
2-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115221565

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone (CID 145467842) is 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone is CC(=O)C1CC1CN(C)C1CC(C)OC(O)C1.
What is the InChIKey of 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone?
The InChIKey is FJZJAWGTHXRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8-4-11(6-13(16)17-8)14(3)7-10-5-12(10)9(2)15/h8,10-13,16H,4-7H2,1-3H3.
What are the key properties of 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone?
1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone has a molecular weight of 241.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-hydroxy-6-methyloxan-4-yl)-methylamino]methyl]cyclopropyl]ethanone is sourced from PubChem (CID 145467842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).