3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

C17H33NO2 — CID 79915501

IUPAC3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-11-18-16(8-12-19-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyPYFUMAMHTFSGQF-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.52
Rot. Bonds7

About 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (PubChem CID 79915501) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
PubChem CID79915501
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-11-18-16(8-12-19-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3
InChIKeyPYFUMAMHTFSGQF-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-[2-(1,3-dioxolan-2-yl)-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 103547014
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (CID 79915501) is 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is CCCNC(CCOC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The InChIKey is PYFUMAMHTFSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-11-18-16(8-12-19-2)15-7-13-20-17(14-15)9-5-4-6-10-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79915501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).