(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine

C16H32N2O — CID 167259348

IUPAC(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCCCCC(CCC)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C16H32N2O/c1-3-5-6-8-14(7-4-2)18-12-16(13-18)9-10-19-11-15(16)17/h14-15H,3-13,17H2,1-2H3/t14?,15-/m0/s1
InChIKeyWTGQCOIALBTHQU-LOACHALJSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds7

About (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine

(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (PubChem CID 167259348) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.

Molecular Properties

Compound Name(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
PubChem CID167259348
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine
SMILESCCCCCC(CCC)N1CC2(CCOC[C@@H]2N)C1
InChIInChI=1S/C16H32N2O/c1-3-5-6-8-14(7-4-2)18-12-16(13-18)9-10-19-11-15(16)17/h14-15H,3-13,17H2,1-2H3/t14?,15-/m0/s1
InChIKeyWTGQCOIALBTHQU-LOACHALJSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The IUPAC name of (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine (CID 167259348) is (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine.
What is the SMILES notation for (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The canonical SMILES for (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is CCCCCC(CCC)N1CC2(CCOC[C@@H]2N)C1.
What is the InChIKey of (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
The InChIKey is WTGQCOIALBTHQU-LOACHALJSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-6-8-14(7-4-2)18-12-16(13-18)9-10-19-11-15(16)17/h14-15H,3-13,17H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine?
(5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-nonan-4-yl-7-oxa-2-azaspiro[3.5]nonan-5-amine is sourced from PubChem (CID 167259348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).