N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine

C13H25NO2 — CID 65165659

IUPACN-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCC2CCCO2)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14-10-13(7-9-15-11-13)6-5-12-4-3-8-16-12/h12,14H,2-11H2,1H3
InChIKeyAGHVBXJJGGSSPB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds6

About N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 65165659) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
PubChem CID65165659
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCC2CCCO2)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14-10-13(7-9-15-11-13)6-5-12-4-3-8-16-12/h12,14H,2-11H2,1H3
InChIKeyAGHVBXJJGGSSPB-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
N-[[3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056042
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397
N-[[4-(2-cyclohexylethyl)oxan-4-yl]methyl]ethanamine
CID 114192526
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine (CID 65165659) is N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCC2CCCO2)CCOC1.
What is the InChIKey of N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is AGHVBXJJGGSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14-10-13(7-9-15-11-13)6-5-12-4-3-8-16-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 65165659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).