4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine

C15H25NO — CID 102902814

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H25NO/c16-13-5-3-12(4-6-13)11-14-7-10-15(17-14)8-1-2-9-15/h11,13-14H,1-10,16H2/b12-11-
InChIKeyOODSYBAMZFNDIP-QXMHVHEDSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds1

About 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine

4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine (PubChem CID 102902814) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
PubChem CID102902814
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H25NO/c16-13-5-3-12(4-6-13)11-14-7-10-15(17-14)8-1-2-9-15/h11,13-14H,1-10,16H2/b12-11-
InChIKeyOODSYBAMZFNDIP-QXMHVHEDSA-N
XLogP3.31
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 ≤ 53.31
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-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine (CID 102902814) is 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine is NC1CCC(=CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine?
The InChIKey is OODSYBAMZFNDIP-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H25NO/c16-13-5-3-12(4-6-13)11-14-7-10-15(17-14)8-1-2-9-15/h11,13-14H,1-10,16H2/b12-11-.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine?
4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethylidene)cyclohexan-1-amine is sourced from PubChem (CID 102902814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).