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

C11H22N2O — CID 129237414

IUPAC(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCC(C)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C11H22N2O/c1-3-9(2)13-7-11(8-13)4-5-14-6-10(11)12/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyNTLHIMDTFKLIRM-AXDSSHIGSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds2

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

(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (PubChem CID 129237414) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.

Molecular Properties

Compound Name(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
PubChem CID129237414
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCC(C)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C11H22N2O/c1-3-9(2)13-7-11(8-13)4-5-14-6-10(11)12/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyNTLHIMDTFKLIRM-AXDSSHIGSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The IUPAC name of (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (CID 129237414) is (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.
What is the SMILES notation for (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The canonical SMILES for (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is CCC(C)N1CC2(CCOC[C@@H]2N)C1.
What is the InChIKey of (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The InChIKey is NTLHIMDTFKLIRM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(2)13-7-11(8-13)4-5-14-6-10(11)12/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
(5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-butan-2-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is sourced from PubChem (CID 129237414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).