N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine

C13H28N2O — CID 62261529

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CNCC)CCOC1
InChIInChI=1S/C13H28N2O/c1-4-6-8-15(3)11-13(10-14-5-2)7-9-16-12-13/h14H,4-12H2,1-3H3
InChIKeyYRDNLLKNCBHZQM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine (PubChem CID 62261529) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine
PubChem CID62261529
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CNCC)CCOC1
InChIInChI=1S/C13H28N2O/c1-4-6-8-15(3)11-13(10-14-5-2)7-9-16-12-13/h14H,4-12H2,1-3H3
InChIKeyYRDNLLKNCBHZQM-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)-3-methylpyrrolidine hydrochloride
CID 67343930
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55051447
2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051448
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
CID 55055941
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55056230
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55056278
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55056562
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255855
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62255856
N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62255868
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256027
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256028

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine (CID 62261529) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1(CNCC)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is YRDNLLKNCBHZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-8-15(3)11-13(10-14-5-2)7-9-16-12-13/h14H,4-12H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 62261529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).