N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

C16H32N2O — CID 80998752

IUPACN-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(C2CCC2CNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-15-7-9-18(10-8-15)16-6-5-14(16)12-17-11-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyWEOSVZBBRNEBBL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds7

About N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 80998752) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID80998752
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCOC1CCN(C2CCC2CNCC(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-4-19-15-7-9-18(10-8-15)16-6-5-14(16)12-17-11-13(2)3/h13-17H,4-12H2,1-3H3
InChIKeyWEOSVZBBRNEBBL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 80998752) is N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is CCOC1CCN(C2CCC2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WEOSVZBBRNEBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-19-15-7-9-18(10-8-15)16-6-5-14(16)12-17-11-13(2)3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80998752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).