2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C18H30N4 — CID 118740947

IUPAC2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESCCC(CC)CN1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H30N4/c1-3-16(4-2)13-21-12-8-18(14-21)7-5-11-22(15-18)17-19-9-6-10-20-17/h6,9-10,16H,3-5,7-8,11-15H2,1-2H3
InChIKeyBBBPIQUIVHFUKG-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 118740947) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID118740947
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESCCC(CC)CN1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H30N4/c1-3-16(4-2)13-21-12-8-18(14-21)7-5-11-22(15-18)17-19-9-6-10-20-17/h6,9-10,16H,3-5,7-8,11-15H2,1-2H3
InChIKeyBBBPIQUIVHFUKG-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 118740947) is 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is CCC(CC)CN1CCC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is BBBPIQUIVHFUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-3-16(4-2)13-21-12-8-18(14-21)7-5-11-22(15-18)17-19-9-6-10-20-17/h6,9-10,16H,3-5,7-8,11-15H2,1-2H3.
What are the key properties of 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 302.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118740947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).