3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine

C14H23NO — CID 79922624

IUPAC3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(C2CCOC3(CCC3)C2)CCC1
InChIInChI=1S/C14H23NO/c15-13-4-1-3-11(9-13)12-5-8-16-14(10-12)6-2-7-14/h9,12-13H,1-8,10,15H2
InChIKeyRQHRLOPGDLGMQM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.77
Rot. Bonds1

About 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine

3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine (PubChem CID 79922624) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
PubChem CID79922624
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
SMILESNC1C=C(C2CCOC3(CCC3)C2)CCC1
InChIInChI=1S/C14H23NO/c15-13-4-1-3-11(9-13)12-5-8-16-14(10-12)6-2-7-14/h9,12-13H,1-8,10,15H2
InChIKeyRQHRLOPGDLGMQM-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.77
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-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine (CID 79922624) is 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine is NC1C=C(C2CCOC3(CCC3)C2)CCC1.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
The InChIKey is RQHRLOPGDLGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-13-4-1-3-11(9-13)12-5-8-16-14(10-12)6-2-7-14/h9,12-13H,1-8,10,15H2.
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine?
3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 79922624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).