9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

C20H32N4 — CID 45252850

IUPAC9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C20H32N4/c1-2-19-21-11-18(12-22-19)14-24-10-8-20(16-24)7-4-9-23(15-20)13-17-5-3-6-17/h11-12,17H,2-10,13-16H2,1H3
InChIKeyCZZUOQAUFGREKE-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.13
Rot. Bonds5

About 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45252850) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45252850
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1
InChIInChI=1S/C20H32N4/c1-2-19-21-11-18(12-22-19)14-24-10-8-20(16-24)7-4-9-23(15-20)13-17-5-3-6-17/h11-12,17H,2-10,13-16H2,1H3
InChIKeyCZZUOQAUFGREKE-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45252850) is 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is CCc1ncc(CN2CCC3(CCCN(CC4CCC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is CZZUOQAUFGREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-2-19-21-11-18(12-22-19)14-24-10-8-20(16-24)7-4-9-23(15-20)13-17-5-3-6-17/h11-12,17H,2-10,13-16H2,1H3.
What are the key properties of 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 328.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).