N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine

C13H26N2O2 — CID 82754260

IUPACN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCCNCC1CCC(CN(C)C2CCOC2)O1
InChIInChI=1S/C13H26N2O2/c1-3-14-8-12-4-5-13(17-12)9-15(2)11-6-7-16-10-11/h11-14H,3-10H2,1-2H3
InChIKeyOVAGBBOIXXOQRK-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds6

About N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 82754260) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
PubChem CID82754260
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCCNCC1CCC(CN(C)C2CCOC2)O1
InChIInChI=1S/C13H26N2O2/c1-3-14-8-12-4-5-13(17-12)9-15(2)11-6-7-16-10-11/h11-14H,3-10H2,1-2H3
InChIKeyOVAGBBOIXXOQRK-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methylcyclohexan-1-amine
CID 62412851
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 55075065
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665945
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N,N,N'-triethyl-N'-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]propane-1,3-diamine
CID 102997663
N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
CID 65486176
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine (CID 82754260) is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine is CCNCC1CCC(CN(C)C2CCOC2)O1.
What is the InChIKey of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is OVAGBBOIXXOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-8-12-4-5-13(17-12)9-15(2)11-6-7-16-10-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine?
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82754260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).