2-nonan-2-yl-2,8-diazaspiro[3.5]nonane

C16H32N2 — CID 129237366

IUPAC2-nonan-2-yl-2,8-diazaspiro[3.5]nonane
SMILESCCCCCCCC(C)N1CC2(CCCNC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-9-15(2)18-13-16(14-18)10-8-11-17-12-16/h15,17H,3-14H2,1-2H3
InChIKeyRXPNWELUTZDVOA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane

2-nonan-2-yl-2,8-diazaspiro[3.5]nonane (PubChem CID 129237366) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-nonan-2-yl-2,8-diazaspiro[3.5]nonane
PubChem CID129237366
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-nonan-2-yl-2,8-diazaspiro[3.5]nonane
SMILESCCCCCCCC(C)N1CC2(CCCNC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-9-15(2)18-13-16(14-18)10-8-11-17-12-16/h15,17H,3-14H2,1-2H3
InChIKeyRXPNWELUTZDVOA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane (CID 129237366) is 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane is CCCCCCCC(C)N1CC2(CCCNC2)C1.
What is the InChIKey of 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane?
The InChIKey is RXPNWELUTZDVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-9-15(2)18-13-16(14-18)10-8-11-17-12-16/h15,17H,3-14H2,1-2H3.
What are the key properties of 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane?
2-nonan-2-yl-2,8-diazaspiro[3.5]nonane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-2-yl-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 129237366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).