N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

C16H32N2O2 — CID 63741073

IUPACN-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(OCC)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-17-12-16(8-6-10-19-14-16)13-18-9-5-7-15(11-18)20-4-2/h15,17H,3-14H2,1-2H3
InChIKeyGVFLWLFKDYSLEI-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds7

About N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine

N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (PubChem CID 63741073) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
PubChem CID63741073
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(OCC)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-3-17-12-16(8-6-10-19-14-16)13-18-9-5-7-15(11-18)20-4-2/h15,17H,3-14H2,1-2H3
InChIKeyGVFLWLFKDYSLEI-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740455
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741781
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62272445
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
2-methyl-N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741753
3-ethoxy-1-[(3-ethylpiperidin-3-yl)methyl]piperidine
CID 55167023
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740707
4-methyl-1-[[3-(propylaminomethyl)oxan-3-yl]methyl]piperidin-3-ol
CID 102967061
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine (CID 63741073) is N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is CCNCC1(CN2CCCC(OCC)C2)CCCOC1.
What is the InChIKey of N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
The InChIKey is GVFLWLFKDYSLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-17-12-16(8-6-10-19-14-16)13-18-9-5-7-15(11-18)20-4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine?
N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-ethoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63741073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).