3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C14H27NO2 — CID 113391352

IUPAC3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCOC(C)CC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(16-2)9-13(15)12-5-8-17-14(10-12)6-3-4-7-14/h11-13H,3-10,15H2,1-2H3
InChIKeyKDCGJNZMPJITPY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds4

About 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 113391352) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID113391352
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCOC(C)CC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(16-2)9-13(15)12-5-8-17-14(10-12)6-3-4-7-14/h11-13H,3-10,15H2,1-2H3
InChIKeyKDCGJNZMPJITPY-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxybutyl]hydrazine
CID 105266981
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 113391352) is 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is COC(C)CC(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is KDCGJNZMPJITPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(16-2)9-13(15)12-5-8-17-14(10-12)6-3-4-7-14/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 113391352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).