(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine

C9H18N2O — CID 156829554

IUPAC(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCN1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C9H18N2O/c1-2-11-6-9(7-11)3-4-12-5-8(9)10/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyVHEZFVMZSADROD-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.06
Rot. Bonds1

About (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine

(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine (PubChem CID 156829554) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine.

Molecular Properties

Compound Name(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine
PubChem CID156829554
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCN1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C9H18N2O/c1-2-11-6-9(7-11)3-4-12-5-8(9)10/h8H,2-7,10H2,1H3/t8-/m0/s1
InChIKeyVHEZFVMZSADROD-QMMMGPOBSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The IUPAC name of (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine (CID 156829554) is (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine.
What is the SMILES notation for (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The canonical SMILES for (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine is CCN1CC2(CCOC[C@@H]2N)C1.
What is the InChIKey of (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The InChIKey is VHEZFVMZSADROD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-11-6-9(7-11)3-4-12-5-8(9)10/h8H,2-7,10H2,1H3/t8-/m0/s1.
What are the key properties of (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
(5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine has a molecular weight of 170.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-ethyl-7-oxa-2-azaspiro[3.5]nonan-5-amine is sourced from PubChem (CID 156829554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).