3-azadispiro[3.0.55.34]tridecane

C12H21N — CID 130646295

IUPAC3-azadispiro[3.0.55.34]tridecane
SMILESC1CCC2(CC1)CCCC21CCN1
InChIInChI=1S/C12H21N/c1-2-5-11(6-3-1)7-4-8-12(11)9-10-13-12/h13H,1-10H2
InChIKeyASVPHGSRJYUUBY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds

About 3-azadispiro[3.0.55.34]tridecane

3-azadispiro[3.0.55.34]tridecane (PubChem CID 130646295) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-azadispiro[3.0.55.34]tridecane.

Molecular Properties

Compound Name3-azadispiro[3.0.55.34]tridecane
PubChem CID130646295
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-azadispiro[3.0.55.34]tridecane
SMILESC1CCC2(CC1)CCCC21CCN1
InChIInChI=1S/C12H21N/c1-2-5-11(6-3-1)7-4-8-12(11)9-10-13-12/h13H,1-10H2
InChIKeyASVPHGSRJYUUBY-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-1-azaspiro[4.4]nonane
CID 83856346
1,1-dimethyl-2-azaspiro[4.7]dodecane
CID 62353394
7-thia-12-azadispiro[2.0.54.33]dodecane
CID 105440879
5,5-difluoro-1-azaspiro[5.6]dodecane
CID 155973408
7-azadispiro[3.0.45.34]dodecane
CID 83905512
1-methyl-2-azaspiro[5.5]undecan-1-ol
CID 140662959
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
(5R)-7,10-dioxa-4-azadispiro[4.0.46.45]tetradecane
CID 10607983
5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol
CID 19968421
1-azaspiro[4.5]decane
CID 9092
1,1-dipropoxycyclodecane
CID 89439642
2-bromo-2-fluoro-4-azaspiro[2.4]heptane
CID 146598189

Frequently Asked Questions

What is the IUPAC name of 3-azadispiro[3.0.55.34]tridecane?
The IUPAC name of 3-azadispiro[3.0.55.34]tridecane (CID 130646295) is 3-azadispiro[3.0.55.34]tridecane.
What is the SMILES notation for 3-azadispiro[3.0.55.34]tridecane?
The canonical SMILES for 3-azadispiro[3.0.55.34]tridecane is C1CCC2(CC1)CCCC21CCN1.
What is the InChIKey of 3-azadispiro[3.0.55.34]tridecane?
The InChIKey is ASVPHGSRJYUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-5-11(6-3-1)7-4-8-12(11)9-10-13-12/h13H,1-10H2.
What are the key properties of 3-azadispiro[3.0.55.34]tridecane?
3-azadispiro[3.0.55.34]tridecane has a molecular weight of 179.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azadispiro[3.0.55.34]tridecane is sourced from PubChem (CID 130646295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).