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

C11H23NO2 — CID 102698062

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(13-4)7-12-8-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3
InChIKeyNLIDCIAHWCOWGN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds5

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

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine (PubChem CID 102698062) 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]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine
PubChem CID102698062
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCC1CCC(C)(C)O1
InChIInChI=1S/C11H23NO2/c1-9(13-4)7-12-8-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3
InChIKeyNLIDCIAHWCOWGN-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

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
N-(oxolan-2-ylmethyl)butan-1-amine
CID 263177
N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 111270
Propyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3144565
Di(2-Tetrahydrofurylmethyl)amine
CID 219311
[(4,4-Dimethyloxolan-2-yl)methyl](methyl)amine
CID 176466950
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 2733181
[(3,3-Dimethyloxolan-2-yl)methyl](methyl)amine
CID 142607583
2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
CID 163758359
N-(5-methyltetrahydro-2-furfuryl)aminoethanol
CID 129875017
2,2-difluoro-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 80170991

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine (CID 102698062) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine is COC(C)CNCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine?
The InChIKey is NLIDCIAHWCOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13-4)7-12-8-10-5-6-11(2,3)14-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-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]-2-methoxypropan-1-amine is sourced from PubChem (CID 102698062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).