3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane

C18H36N2 — CID 64877638

IUPAC3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCN1CC2(CCCCC2)NCC1(CC)CC
InChIInChI=1S/C18H36N2/c1-4-7-11-14-20-16-17(12-9-8-10-13-17)19-15-18(20,5-2)6-3/h19H,4-16H2,1-3H3
InChIKeyRIPHWFUNXBJZPV-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds6

About 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane

3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64877638) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane
PubChem CID64877638
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane
SMILESCCCCCN1CC2(CCCCC2)NCC1(CC)CC
InChIInChI=1S/C18H36N2/c1-4-7-11-14-20-16-17(12-9-8-10-13-17)19-15-18(20,5-2)6-3/h19H,4-16H2,1-3H3
InChIKeyRIPHWFUNXBJZPV-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-diethyl-4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64878022
3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64878214
4-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazaspiro[5.5]undecane
CID 64876676
8,8-diethyl-9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64878169
8,8-diethyl-9-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877784
11-pentyl-7,11-diazaspiro[5.6]dodecane
CID 64859042
4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
11-octyl-7,11-diazaspiro[5.6]dodecane
CID 64859395
11-hexyl-7,11-diazaspiro[5.6]dodecane
CID 64859041
11-nonyl-7,11-diazaspiro[5.6]dodecane
CID 64857646
8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877786
8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 80697005

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane (CID 64877638) is 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane is CCCCCN1CC2(CCCCC2)NCC1(CC)CC.
What is the InChIKey of 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is RIPHWFUNXBJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-11-14-20-16-17(12-9-8-10-13-17)19-15-18(20,5-2)6-3/h19H,4-16H2,1-3H3.
What are the key properties of 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane?
3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64877638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).