N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine

C11H23NO2 — CID 116521074

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(8-13-4)12-7-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3
InChIKeyVKGAEOXSFFTDST-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine (PubChem CID 116521074) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
PubChem CID116521074
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(8-13-4)12-7-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3
InChIKeyVKGAEOXSFFTDST-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511
1-methoxy-N-(oxan-4-ylmethyl)propan-2-amine
CID 62386572
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine (CID 116521074) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine is COCC(C)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine?
The InChIKey is VKGAEOXSFFTDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(8-13-4)12-7-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 116521074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).