N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine

C13H26N2O2 — CID 104761942

IUPACN-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
SMILESCCNC1CCN(CC2(OC)CCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-3-14-12-4-7-15(8-5-12)10-13(16-2)6-9-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyJIDMCPALICTEJK-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds5

About N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine

N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine (PubChem CID 104761942) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
PubChem CID104761942
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
SMILESCCNC1CCN(CC2(OC)CCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-3-14-12-4-7-15(8-5-12)10-13(16-2)6-9-17-11-13/h12,14H,3-11H2,1-2H3
InChIKeyJIDMCPALICTEJK-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104766000
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
CID 104759812
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
CID 104705115
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
1-[(3-methoxyoxolan-3-yl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 104761957
N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
CID 176945985
N-[(3-methoxyoxolan-3-yl)methyl]piperidin-3-amine
CID 104759714

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine (CID 104761942) is N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine is CCNC1CCN(CC2(OC)CCOC2)CC1.
What is the InChIKey of N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine?
The InChIKey is JIDMCPALICTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-12-4-7-15(8-5-12)10-13(16-2)6-9-17-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine?
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 104761942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).