1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane

C22H42N6 — CID 167575639

IUPAC1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane
SMILESC1CC2(C1)CCN2.C1CC2(C1)CNC2.C1CC2(CCN2)N1.C1CC2(CNC2)N1
InChIInChI=1S/2C6H11N.2C5H10N2/c1-2-6(3-1)4-7-5-6;1-2-6(3-1)4-5-7-6;1-3-6-5(1)2-4-7-5;1-2-7-5(1)3-6-4-5/h2*7H,1-5H2;2*6-7H,1-4H2
InChIKeyGMLOGIUANGLHGI-UHFFFAOYSA-N
MW390.62 g/mol
LogP0.65
Rot. Bonds

About 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane

1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane (PubChem CID 167575639) has the molecular formula C22H42N6 and a molecular weight of 390.62 g/mol. Its IUPAC name is 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane
PubChem CID167575639
Molecular FormulaC22H42N6
Molecular Weight390.62 g/mol
Exact Mass390.35
IUPAC Name1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane
SMILESC1CC2(C1)CCN2.C1CC2(C1)CNC2.C1CC2(CCN2)N1.C1CC2(CNC2)N1
InChIInChI=1S/2C6H11N.2C5H10N2/c1-2-6(3-1)4-7-5-6;1-2-6(3-1)4-5-7-6;1-3-6-5(1)2-4-7-5;1-2-7-5(1)3-6-4-5/h2*7H,1-5H2;2*6-7H,1-4H2
InChIKeyGMLOGIUANGLHGI-UHFFFAOYSA-N
XLogP0.65
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 50.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane?
The IUPAC name of 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane (CID 167575639) is 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane is C1CC2(C1)CCN2.C1CC2(C1)CNC2.C1CC2(CCN2)N1.C1CC2(CNC2)N1.
What is the InChIKey of 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane?
The InChIKey is GMLOGIUANGLHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N.2C5H10N2/c1-2-6(3-1)4-7-5-6;1-2-6(3-1)4-5-7-6;1-3-6-5(1)2-4-7-5;1-2-7-5(1)3-6-4-5/h2*7H,1-5H2;2*6-7H,1-4H2.
What are the key properties of 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane?
1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane has a molecular weight of 390.62 g/mol, XLogP of 0.65, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 167575639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).