N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

C15H30N2O — CID 55069236

IUPACN-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCC(CC)CC2)O1
InChIInChI=1S/C15H30N2O/c1-3-13-7-9-17(10-8-13)12-15-6-5-14(18-15)11-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyQQYGQERPQGAEFL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 55069236) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID55069236
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCC(CC)CC2)O1
InChIInChI=1S/C15H30N2O/c1-3-13-7-9-17(10-8-13)12-15-6-5-14(18-15)11-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyQQYGQERPQGAEFL-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 55069236) is N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCC(CC)CC2)O1.
What is the InChIKey of N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is QQYGQERPQGAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13-7-9-17(10-8-13)12-15-6-5-14(18-15)11-16-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55069236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).