2-butyl-2,6-diazaspiro[3.3]heptane

C9H18N2 — CID 159477315

IUPAC2-butyl-2,6-diazaspiro[3.3]heptane
SMILESCCCCN1CC2(CNC2)C1
InChIInChI=1S/C9H18N2/c1-2-3-4-11-7-9(8-11)5-10-6-9/h10H,2-8H2,1H3
InChIKeyOWSIRHZGKKJDMT-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds3

About 2-butyl-2,6-diazaspiro[3.3]heptane

2-butyl-2,6-diazaspiro[3.3]heptane (PubChem CID 159477315) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-butyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-butyl-2,6-diazaspiro[3.3]heptane
PubChem CID159477315
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-butyl-2,6-diazaspiro[3.3]heptane
SMILESCCCCN1CC2(CNC2)C1
InChIInChI=1S/C9H18N2/c1-2-3-4-11-7-9(8-11)5-10-6-9/h10H,2-8H2,1H3
InChIKeyOWSIRHZGKKJDMT-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-butyl-2,6-diazaspiro[3.3]heptane (CID 159477315) is 2-butyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-butyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-butyl-2,6-diazaspiro[3.3]heptane is CCCCN1CC2(CNC2)C1.
What is the InChIKey of 2-butyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is OWSIRHZGKKJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-11-7-9(8-11)5-10-6-9/h10H,2-8H2,1H3.
What are the key properties of 2-butyl-2,6-diazaspiro[3.3]heptane?
2-butyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 159477315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).