7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

C15H28N2O — CID 174181727

IUPAC7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)OCC1(CN2CCC3(CC2)CNC3)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)18-12-15(3-4-15)11-17-7-5-14(6-8-17)9-16-10-14/h13,16H,3-12H2,1-2H3
InChIKeyRQAJKTKYYSXJGN-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds5

About 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane

7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 174181727) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID174181727
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)OCC1(CN2CCC3(CC2)CNC3)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)18-12-15(3-4-15)11-17-7-5-14(6-8-17)9-16-10-14/h13,16H,3-12H2,1-2H3
InChIKeyRQAJKTKYYSXJGN-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 174181727) is 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)OCC1(CN2CCC3(CC2)CNC3)CC1.
What is the InChIKey of 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is RQAJKTKYYSXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)18-12-15(3-4-15)11-17-7-5-14(6-8-17)9-16-10-14/h13,16H,3-12H2,1-2H3.
What are the key properties of 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 252.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174181727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).