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

C19H34N2 — CID 64939473

IUPAC4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC1CC2CCC1C2
InChIInChI=1S/C19H34N2/c1-2-18-12-20-19(8-4-3-5-9-19)14-21(18)13-17-11-15-6-7-16(17)10-15/h15-18,20H,2-14H2,1H3
InChIKeyPEENLMYYAVXBDK-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.81
Rot. Bonds3

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

4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64939473) 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-ethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64939473
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC1CC2CCC1C2
InChIInChI=1S/C19H34N2/c1-2-18-12-20-19(8-4-3-5-9-19)14-21(18)13-17-11-15-6-7-16(17)10-15/h15-18,20H,2-14H2,1H3
InChIKeyPEENLMYYAVXBDK-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 79558237
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106733186
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane (CID 64939473) is 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1CC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is PEENLMYYAVXBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-2-18-12-20-19(8-4-3-5-9-19)14-21(18)13-17-11-15-6-7-16(17)10-15/h15-18,20H,2-14H2,1H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane?
4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.50 g/mol, XLogP of 3.81, 3 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-ethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).