1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine

C17H33NO2 — CID 105012097

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-16(18)15-8-11-20-17(14-15)9-12-19-13-10-17/h15-16H,2-14,18H2,1H3
InChIKeyBDUCZHXWCHLLKP-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.65
Rot. Bonds7

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine (PubChem CID 105012097) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
PubChem CID105012097
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
SMILESCCCCCCCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-16(18)15-8-11-20-17(14-15)9-12-19-13-10-17/h15-16H,2-14,18H2,1H3
InChIKeyBDUCZHXWCHLLKP-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
CID 105323241
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine (CID 105012097) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine is CCCCCCCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine?
The InChIKey is BDUCZHXWCHLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-16(18)15-8-11-20-17(14-15)9-12-19-13-10-17/h15-16H,2-14,18H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine is sourced from PubChem (CID 105012097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).