1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine

C16H31NO2 — CID 105017103

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-15(17)14-8-10-19-16(12-14)9-11-18-13-16/h14-15H,2-13,17H2,1H3
InChIKeyTYFNAFWVXFTYBR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.26
Rot. Bonds7

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine (PubChem CID 105017103) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
PubChem CID105017103
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-15(17)14-8-10-19-16(12-14)9-11-18-13-16/h14-15H,2-13,17H2,1H3
InChIKeyTYFNAFWVXFTYBR-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.26
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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propan-2-ylsulfanylethanamine
CID 79911409
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(oxan-4-yl)heptan-1-amine
CID 65334749

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine (CID 105017103) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine is CCCCCCCC(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine?
The InChIKey is TYFNAFWVXFTYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-15(17)14-8-10-19-16(12-14)9-11-18-13-16/h14-15H,2-13,17H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine is sourced from PubChem (CID 105017103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).