9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C19H30N4 — CID 70745389

IUPAC9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4/c1-2-5-17(6-3-1)14-22-11-4-7-19(15-22)8-12-23(16-19)18-13-20-9-10-21-18/h9-10,13,17H,1-8,11-12,14-16H2
InChIKeyUFQLHZXMLWOCIJ-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.35
Rot. Bonds3

About 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 70745389) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID70745389
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C19H30N4/c1-2-5-17(6-3-1)14-22-11-4-7-19(15-22)8-12-23(16-19)18-13-20-9-10-21-18/h9-10,13,17H,1-8,11-12,14-16H2
InChIKeyUFQLHZXMLWOCIJ-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 70745389) is 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is UFQLHZXMLWOCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-2-5-17(6-3-1)14-22-11-4-7-19(15-22)8-12-23(16-19)18-13-20-9-10-21-18/h9-10,13,17H,1-8,11-12,14-16H2.
What are the key properties of 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 314.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 70745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).