(4R)-1,7-diazaspiro[3.4]octane

C6H12N2 — CID 97135320

IUPAC(4R)-1,7-diazaspiro[3.4]octane
SMILESC1C[C@]2(CCN2)CN1
InChIInChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m0/s1
InChIKeyJAUHHUMGLNVJQI-LURJTMIESA-N
MW112.18 g/mol
LogP-0.29
Rot. Bonds

About (4R)-1,7-diazaspiro[3.4]octane

(4R)-1,7-diazaspiro[3.4]octane (PubChem CID 97135320) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (4R)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1,7-diazaspiro[3.4]octane
PubChem CID97135320
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(4R)-1,7-diazaspiro[3.4]octane
SMILESC1C[C@]2(CCN2)CN1
InChIInChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m0/s1
InChIKeyJAUHHUMGLNVJQI-LURJTMIESA-N
XLogP-0.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4R)-1,7-diazaspiro[3.4]octane (CID 97135320) is (4R)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4R)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4R)-1,7-diazaspiro[3.4]octane is C1C[C@]2(CCN2)CN1.
What is the InChIKey of (4R)-1,7-diazaspiro[3.4]octane?
The InChIKey is JAUHHUMGLNVJQI-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m0/s1.
What are the key properties of (4R)-1,7-diazaspiro[3.4]octane?
(4R)-1,7-diazaspiro[3.4]octane has a molecular weight of 112.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97135320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).