1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine

C15H28N2O — CID 155405032

IUPAC1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine
SMILESCN1C2CCCCC(C)(N)CC2CCC12COC2
InChIInChI=1S/C15H28N2O/c1-14(16)7-4-3-5-13-12(9-14)6-8-15(17(13)2)10-18-11-15/h12-13H,3-11,16H2,1-2H3
InChIKeyAPMXTUOETOPZHK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.15
Rot. Bonds

About 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine

1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine (PubChem CID 155405032) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine.

Molecular Properties

Compound Name1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine
PubChem CID155405032
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine
SMILESCN1C2CCCCC(C)(N)CC2CCC12COC2
InChIInChI=1S/C15H28N2O/c1-14(16)7-4-3-5-13-12(9-14)6-8-15(17(13)2)10-18-11-15/h12-13H,3-11,16H2,1-2H3
InChIKeyAPMXTUOETOPZHK-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine with MolForge

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Related Compounds

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CID 166684529
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
CID 67592701
CID 174040303
CID 174040303
2-cyclohexyl-1-[2-(3-methyloxetan-3-yl)ethyl]pyrrolidine
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1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one
CID 166733009

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine?
The IUPAC name of 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine (CID 155405032) is 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine.
What is the SMILES notation for 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine?
The canonical SMILES for 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine is CN1C2CCCCC(C)(N)CC2CCC12COC2.
What is the InChIKey of 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine?
The InChIKey is APMXTUOETOPZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(16)7-4-3-5-13-12(9-14)6-8-15(17(13)2)10-18-11-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine?
1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine has a molecular weight of 252.40 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylspiro[4,4a,5,7,8,9,10,10a-octahydro-3H-cycloocta[b]pyridine-2,3'-oxetane]-6-amine is sourced from PubChem (CID 155405032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).