N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine

C13H25NO — CID 79897841

IUPACN-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(CC)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)14-12-6-9-15-13(10-12)7-5-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyHZPKRLIWAHCUFT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds4

About N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine

N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897841) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897841
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(CC)NC1CCOC2(CCC2)C1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)14-12-6-9-15-13(10-12)7-5-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyHZPKRLIWAHCUFT-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine (CID 79897841) is N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine is CCC(CC)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is HZPKRLIWAHCUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(4-2)14-12-6-9-15-13(10-12)7-5-8-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine?
N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).