7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane

C13H26N2O — CID 135173644

IUPAC7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)OCCCN1CCC2(CC1)CNC2
InChIInChI=1S/C13H26N2O/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyJEQQPQNYNLCOEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane

7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 135173644) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
PubChem CID135173644
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane
SMILESCC(C)OCCCN1CCC2(CC1)CNC2
InChIInChI=1S/C13H26N2O/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyJEQQPQNYNLCOEG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane (CID 135173644) is 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane is CC(C)OCCCN1CCC2(CC1)CNC2.
What is the InChIKey of 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is JEQQPQNYNLCOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)16-9-3-6-15-7-4-13(5-8-15)10-14-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane?
7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-propan-2-yloxypropyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 135173644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).