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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Related Compounds

(2S)-3,3-dimethyl-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]butan-2-amine
CID 97338709
2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine
CID 115919754
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(3R)-3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 129382017
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
2-[[(cyclohexylamino)-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036093
(1R,5R,6S)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840680

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).