N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine

C17H32N2O — CID 63159734

IUPACN-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCC3(CCCC3)CC2)CCOC1
InChIInChI=1S/C17H32N2O/c1-2-18-13-17(9-12-20-15-17)14-19-10-7-16(8-11-19)5-3-4-6-16/h18H,2-15H2,1H3
InChIKeyMXUWQLAWSZTFIN-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds5

About N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 63159734) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID63159734
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCC3(CCCC3)CC2)CCOC1
InChIInChI=1S/C17H32N2O/c1-2-18-13-17(9-12-20-15-17)14-19-10-7-16(8-11-19)5-3-4-6-16/h18H,2-15H2,1H3
InChIKeyMXUWQLAWSZTFIN-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 63159734) is N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCC3(CCCC3)CC2)CCOC1.
What is the InChIKey of N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is MXUWQLAWSZTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-18-13-17(9-12-20-15-17)14-19-10-7-16(8-11-19)5-3-4-6-16/h18H,2-15H2,1H3.
What are the key properties of N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 280.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63159734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).