1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane

C17H30N2 — CID 79558610

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCN2CC1CC2CCC1C2
InChIInChI=1S/C17H30N2/c1-2-6-17(7-3-1)13-18-8-9-19(17)12-16-11-14-4-5-15(16)10-14/h14-16,18H,1-13H2
InChIKeyPFRYYYLPFUVWEH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane

1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 79558610) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID79558610
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CNCCN2CC1CC2CCC1C2
InChIInChI=1S/C17H30N2/c1-2-6-17(7-3-1)13-18-8-9-19(17)12-16-11-14-4-5-15(16)10-14/h14-16,18H,1-13H2
InChIKeyPFRYYYLPFUVWEH-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 79558237
1-(cyclopropylmethyl)-1,9-diazaspiro[4.5]decane
CID 83618588
1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride
CID 155854093
1-(2-bicyclo[2.2.1]heptanylmethyl)piperazine-2-carbonitrile
CID 79558167
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
CID 112562902
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080184
5-(2-bicyclo[2.2.1]heptanylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79558166
4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64939473
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 79550176
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038
(3aR,6aS)-5-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660823

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane (CID 79558610) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane is C1CCC2(CC1)CNCCN2CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is PFRYYYLPFUVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-6-17(7-3-1)13-18-8-9-19(17)12-16-11-14-4-5-15(16)10-14/h14-16,18H,1-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane?
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 262.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79558610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).