1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine

C15H29NO — CID 134243866

IUPAC1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine
SMILESCCCC1CC2(CCC[C@@H](COC(C)N)C2)C1
InChIInChI=1S/C15H29NO/c1-3-5-13-8-15(9-13)7-4-6-14(10-15)11-17-12(2)16/h12-14H,3-11,16H2,1-2H3/t12?,13?,14-,15?/m1/s1
InChIKeySCZCQOQDFHPVKN-MIGSVPMKSA-N
MW239.40 g/mol
LogP3.69
Rot. Bonds5

About 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine

1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine (PubChem CID 134243866) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine.

Molecular Properties

Compound Name1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine
PubChem CID134243866
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine
SMILESCCCC1CC2(CCC[C@@H](COC(C)N)C2)C1
InChIInChI=1S/C15H29NO/c1-3-5-13-8-15(9-13)7-4-6-14(10-15)11-17-12(2)16/h12-14H,3-11,16H2,1-2H3/t12?,13?,14-,15?/m1/s1
InChIKeySCZCQOQDFHPVKN-MIGSVPMKSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine?
The IUPAC name of 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine (CID 134243866) is 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine.
What is the SMILES notation for 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine?
The canonical SMILES for 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine is CCCC1CC2(CCC[C@@H](COC(C)N)C2)C1.
What is the InChIKey of 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine?
The InChIKey is SCZCQOQDFHPVKN-MIGSVPMKSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-13-8-15(9-13)7-4-6-14(10-15)11-17-12(2)16/h12-14H,3-11,16H2,1-2H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine?
1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(8R)-2-propylspiro[3.5]nonan-8-yl]methoxy]ethanamine is sourced from PubChem (CID 134243866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).