1,6-diazaspiro[3.3]heptane;dihydrochloride

C5H12Cl2N2 — CID 175669593

IUPAC1,6-diazaspiro[3.3]heptane;dihydrochloride
SMILESC1CC2(CNC2)N1.Cl.Cl
InChIInChI=1S/C5H10N2.2ClH/c1-2-7-5(1)3-6-4-5;;/h6-7H,1-4H2;2*1H
InChIKeyNXBOVIKGFTWFQA-UHFFFAOYSA-N
MW171.07 g/mol
LogP0.17
Rot. Bonds

About 1,6-diazaspiro[3.3]heptane;dihydrochloride

1,6-diazaspiro[3.3]heptane;dihydrochloride (PubChem CID 175669593) has the molecular formula C5H12Cl2N2 and a molecular weight of 171.07 g/mol. Its IUPAC name is 1,6-diazaspiro[3.3]heptane;dihydrochloride.

Molecular Properties

Compound Name1,6-diazaspiro[3.3]heptane;dihydrochloride
PubChem CID175669593
Molecular FormulaC5H12Cl2N2
Molecular Weight171.07 g/mol
Exact Mass170.04
IUPAC Name1,6-diazaspiro[3.3]heptane;dihydrochloride
SMILESC1CC2(CNC2)N1.Cl.Cl
InChIInChI=1S/C5H10N2.2ClH/c1-2-7-5(1)3-6-4-5;;/h6-7H,1-4H2;2*1H
InChIKeyNXBOVIKGFTWFQA-UHFFFAOYSA-N
XLogP0.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-diazaspiro[3.3]heptane
CID 21263412
(4S)-1,7-diazaspiro[3.4]octane
CID 97135321
(4R)-1,7-diazaspiro[3.4]octane
CID 97135320
1-azaspiro[3.3]heptane;2-azaspiro[3.3]heptane;1,5-diazaspiro[3.3]heptane;1,6-diazaspiro[3.3]heptane
CID 167575639
1,4,8-triazaspiro[5.5]undecane
CID 57350918
1,4-diazaspiro[5.6]dodecane
CID 51346047
cesium;carbanide;4,7-diazaspiro[2.5]octane
CID 168976829
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
2,4,10,13-tetrazadispiro[4.1.57.35]pentadecane
CID 71358690
1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
CID 171101355
9,9-difluoro-2,6-diazaspiro[4.5]decane
CID 115014678
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317

Frequently Asked Questions

What is the IUPAC name of 1,6-diazaspiro[3.3]heptane;dihydrochloride?
The IUPAC name of 1,6-diazaspiro[3.3]heptane;dihydrochloride (CID 175669593) is 1,6-diazaspiro[3.3]heptane;dihydrochloride.
What is the SMILES notation for 1,6-diazaspiro[3.3]heptane;dihydrochloride?
The canonical SMILES for 1,6-diazaspiro[3.3]heptane;dihydrochloride is C1CC2(CNC2)N1.Cl.Cl.
What is the InChIKey of 1,6-diazaspiro[3.3]heptane;dihydrochloride?
The InChIKey is NXBOVIKGFTWFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.2ClH/c1-2-7-5(1)3-6-4-5;;/h6-7H,1-4H2;2*1H.
What are the key properties of 1,6-diazaspiro[3.3]heptane;dihydrochloride?
1,6-diazaspiro[3.3]heptane;dihydrochloride has a molecular weight of 171.07 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diazaspiro[3.3]heptane;dihydrochloride is sourced from PubChem (CID 175669593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).