7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane

C21H42N2 — CID 126626537

IUPAC7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCCCCCC(CCCCCC)N1CCC2(CC1)CNC2
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-16-14-21(15-17-23)18-22-19-21/h20,22H,3-19H2,1-2H3
InChIKeyRPAVQIRNVMSQSX-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.37
Rot. Bonds12

About 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane

7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 126626537) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane
PubChem CID126626537
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCCCCCC(CCCCCC)N1CCC2(CC1)CNC2
InChIInChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-16-14-21(15-17-23)18-22-19-21/h20,22H,3-19H2,1-2H3
InChIKeyRPAVQIRNVMSQSX-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.37
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 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane (CID 126626537) is 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane is CCCCCCCC(CCCCCC)N1CCC2(CC1)CNC2.
What is the InChIKey of 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is RPAVQIRNVMSQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-7-9-11-13-20(12-10-8-6-4-2)23-16-14-21(15-17-23)18-22-19-21/h20,22H,3-19H2,1-2H3.
What are the key properties of 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane?
7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 322.58 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tetradecan-7-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 126626537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).