3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

C14H27NO2 — CID 102896795

IUPAC3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCOCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-16-11-5-10-15-12-13-6-9-14(17-13)7-3-2-4-8-14/h13,15H,2-12H2,1H3
InChIKeyYNZGQROYKJTJNH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (PubChem CID 102896795) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
PubChem CID102896795
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESCOCCCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H27NO2/c1-16-11-5-10-15-12-13-6-9-14(17-13)7-3-2-4-8-14/h13,15H,2-12H2,1H3
InChIKeyYNZGQROYKJTJNH-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
1,1,1-Trifluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105644980
1,1-Difluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105645620
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (CID 102896795) is 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is COCCCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The InChIKey is YNZGQROYKJTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-16-11-5-10-15-12-13-6-9-14(17-13)7-3-2-4-8-14/h13,15H,2-12H2,1H3.
What are the key properties of 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102896795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).