3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine

C15H25NO — CID 79922489

IUPAC3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C15H25NO/c16-14-5-3-4-12(10-14)13-6-9-17-15(11-13)7-1-2-8-15/h10,13-14H,1-9,11,16H2
InChIKeyKBBAHOIFKMFGFQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.16
Rot. Bonds1

About 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine

3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine (PubChem CID 79922489) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
PubChem CID79922489
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(C2CCOC3(CCCC3)C2)CCC1
InChIInChI=1S/C15H25NO/c16-14-5-3-4-12(10-14)13-6-9-17-15(11-13)7-1-2-8-15/h10,13-14H,1-9,11,16H2
InChIKeyKBBAHOIFKMFGFQ-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine (CID 79922489) is 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine is NC1C=C(C2CCOC3(CCCC3)C2)CCC1.
What is the InChIKey of 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The InChIKey is KBBAHOIFKMFGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c16-14-5-3-4-12(10-14)13-6-9-17-15(11-13)7-1-2-8-15/h10,13-14H,1-9,11,16H2.
What are the key properties of 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 79922489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).