1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine

C15H27NO3 — CID 75517003

IUPAC1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
SMILESCC(NCC1COC2(CCOCC2)O1)C1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(13-4-2-3-5-13)16-10-14-11-18-15(19-14)6-8-17-9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyZVDCGWONWBDHFJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.08
Rot. Bonds4

About 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine

1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine (PubChem CID 75517003) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
PubChem CID75517003
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
SMILESCC(NCC1COC2(CCOCC2)O1)C1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(13-4-2-3-5-13)16-10-14-11-18-15(19-14)6-8-17-9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyZVDCGWONWBDHFJ-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine (CID 75517003) is 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine is CC(NCC1COC2(CCOCC2)O1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine?
The InChIKey is ZVDCGWONWBDHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(13-4-2-3-5-13)16-10-14-11-18-15(19-14)6-8-17-9-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine?
1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine has a molecular weight of 269.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine is sourced from PubChem (CID 75517003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).