4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine

C16H27NO — CID 102902812

IUPAC4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27NO/c17-14-6-4-13(5-7-14)12-15-8-11-16(18-15)9-2-1-3-10-16/h12,14-15H,1-11,17H2/b13-12-
InChIKeyHEZSYCZQYPZAEM-SEYXRHQNSA-N
MW249.40 g/mol
LogP3.70
Rot. Bonds1

About 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine

4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine (PubChem CID 102902812) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine
PubChem CID102902812
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27NO/c17-14-6-4-13(5-7-14)12-15-8-11-16(18-15)9-2-1-3-10-16/h12,14-15H,1-11,17H2/b13-12-
InChIKeyHEZSYCZQYPZAEM-SEYXRHQNSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.70
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[4.5]decan-2-ylmethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine (CID 102902812) is 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine is NC1CCC(=CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine?
The InChIKey is HEZSYCZQYPZAEM-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H27NO/c17-14-6-4-13(5-7-14)12-15-8-11-16(18-15)9-2-1-3-10-16/h12,14-15H,1-11,17H2/b13-12-.
What are the key properties of 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine?
4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.5]decan-2-ylmethylidene)cyclohexan-1-amine is sourced from PubChem (CID 102902812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).