4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine

C14H23NO — CID 83261563

IUPAC4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine
SMILESNC1CC=C(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h2,12-13H,1,3-10,15H2
InChIKeyGVGHFXNWHFXYLF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.77
Rot. Bonds1

About 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine

4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine (PubChem CID 83261563) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine
PubChem CID83261563
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine
SMILESNC1CC=C(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h2,12-13H,1,3-10,15H2
InChIKeyGVGHFXNWHFXYLF-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 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine (CID 83261563) is 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine is NC1CC=C(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine?
The InChIKey is GVGHFXNWHFXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h2,12-13H,1,3-10,15H2.
What are the key properties of 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine?
4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-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 4-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 83261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).