4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

C19H34N2 — CID 79558237

IUPAC4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1CC1CC2CCC1C2
InChIInChI=1S/C19H34N2/c1-18(2)13-20-19(8-4-3-5-9-19)14-21(18)12-17-11-15-6-7-16(17)10-15/h15-17,20H,3-14H2,1-2H3
InChIKeyOIZPLTDISCNKAQ-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.81
Rot. Bonds2

About 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 79558237) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
PubChem CID79558237
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1CC1CC2CCC1C2
InChIInChI=1S/C19H34N2/c1-18(2)13-20-19(8-4-3-5-9-19)14-21(18)12-17-11-15-6-7-16(17)10-15/h15-17,20H,3-14H2,1-2H3
InChIKeyOIZPLTDISCNKAQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64939473
3,3-dimethyl-4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877631
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,4-diazaspiro[5.5]undecane
CID 79558610
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 79550176
3,3-dimethyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64876284
8,8-dimethyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64876622
4-cyclohexyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 82937035
5-(2-bicyclo[2.2.1]heptanylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79558166
11-(2-bicyclo[2.2.1]heptanyl)-7,11-diazaspiro[5.6]dodecane
CID 64948843
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875519
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080184

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (CID 79558237) is 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1CC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is OIZPLTDISCNKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-18(2)13-20-19(8-4-3-5-9-19)14-21(18)12-17-11-15-6-7-16(17)10-15/h15-17,20H,3-14H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.50 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79558237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).