1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine

C17H33NO — CID 105016795

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-9-16(18)15-10-13-19-17(14-15)11-7-8-12-17/h15-16H,2-14,18H2,1H3
InChIKeyKUCLGXVDOCWWPF-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.41
Rot. Bonds7

About 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine

1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine (PubChem CID 105016795) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
PubChem CID105016795
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-9-16(18)15-10-13-19-17(14-15)11-7-8-12-17/h15-16H,2-14,18H2,1H3
InChIKeyKUCLGXVDOCWWPF-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
N',N'-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 113291213
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine (CID 105016795) is 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine is CCCCCCCC(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine?
The InChIKey is KUCLGXVDOCWWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-5-6-9-16(18)15-10-13-19-17(14-15)11-7-8-12-17/h15-16H,2-14,18H2,1H3.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine?
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine is sourced from PubChem (CID 105016795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).