2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine

C15H27NO4 — CID 116764369

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCOC3)C2)CCOCC1
InChIInChI=1S/C15H27NO4/c1-17-15(4-8-18-9-5-15)13(16)12-2-6-20-14(10-12)3-7-19-11-14/h12-13H,2-11,16H2,1H3
InChIKeyZIPKVJOGGBJLGB-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.10
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine

2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine (PubChem CID 116764369) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
PubChem CID116764369
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2CCOC3(CCOC3)C2)CCOCC1
InChIInChI=1S/C15H27NO4/c1-17-15(4-8-18-9-5-15)13(16)12-2-6-20-14(10-12)3-7-19-11-14/h12-13H,2-11,16H2,1H3
InChIKeyZIPKVJOGGBJLGB-UHFFFAOYSA-N
XLogP1.10
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754417
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
1-[amino(2,6-dioxaspiro[4.5]decan-9-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79907256

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine (CID 116764369) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)C2CCOC3(CCOC3)C2)CCOCC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is ZIPKVJOGGBJLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-17-15(4-8-18-9-5-15)13(16)12-2-6-20-14(10-12)3-7-19-11-14/h12-13H,2-11,16H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine?
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 285.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 116764369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).