2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine

C17H36N2O — CID 106588987

IUPAC2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCCC(COC)C1
InChIInChI=1S/C17H36N2O/c1-5-10-18-14-17(6-2,7-3)15-19-11-8-9-16(12-19)13-20-4/h16,18H,5-15H2,1-4H3
InChIKeyOJDJOSWBPVBUNB-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds10

About 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine

2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine (PubChem CID 106588987) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
PubChem CID106588987
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCCC(COC)C1
InChIInChI=1S/C17H36N2O/c1-5-10-18-14-17(6-2,7-3)15-19-11-8-9-16(12-19)13-20-4/h16,18H,5-15H2,1-4H3
InChIKeyOJDJOSWBPVBUNB-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-ethyl-2-(propylaminomethyl)butyl]-3-methylpiperidin-4-ol
CID 114681903
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106589331
1-[2-ethyl-2-(propylaminomethyl)butyl]-4-methylpiperidin-3-ol
CID 102966934
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 62272448
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
CID 107228972
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine (CID 106588987) is 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine is CCCNCC(CC)(CC)CN1CCCC(COC)C1.
What is the InChIKey of 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine?
The InChIKey is OJDJOSWBPVBUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-10-18-14-17(6-2,7-3)15-19-11-8-9-16(12-19)13-20-4/h16,18H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine?
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 106588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).