(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine

C14H28N2O — CID 166764172

IUPAC(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCCCC(CC)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C14H28N2O/c1-3-5-6-12(4-2)16-10-14(11-16)7-8-17-9-13(14)15/h12-13H,3-11,15H2,1-2H3/t12?,13-/m0/s1
InChIKeyFZDGIHHQYBPRSE-ABLWVSNPSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

About (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine

(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (PubChem CID 166764172) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.

Molecular Properties

Compound Name(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
PubChem CID166764172
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCCCC(CC)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C14H28N2O/c1-3-5-6-12(4-2)16-10-14(11-16)7-8-17-9-13(14)15/h12-13H,3-11,15H2,1-2H3/t12?,13-/m0/s1
InChIKeyFZDGIHHQYBPRSE-ABLWVSNPSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The IUPAC name of (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (CID 166764172) is (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.
What is the SMILES notation for (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The canonical SMILES for (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is CCCCC(CC)N1CC2(CCOC[C@@H]2N)C1.
What is the InChIKey of (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The InChIKey is FZDGIHHQYBPRSE-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-6-12(4-2)16-10-14(11-16)7-8-17-9-13(14)15/h12-13H,3-11,15H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
(5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-heptan-3-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is sourced from PubChem (CID 166764172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).