9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

C21H34N4O — CID 45239115

IUPAC9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ncc(CN2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C21H34N4O/c1-26-20-22-12-19(13-23-20)15-25-11-9-21(17-25)8-5-10-24(16-21)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-17H2,1H3
InChIKeyBPEPSPSDMXCIDH-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.35
Rot. Bonds5

About 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45239115) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45239115
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1ncc(CN2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C21H34N4O/c1-26-20-22-12-19(13-23-20)15-25-11-9-21(17-25)8-5-10-24(16-21)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-17H2,1H3
InChIKeyBPEPSPSDMXCIDH-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45239115) is 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is COc1ncc(CN2CCC3(CCCN(CC4CCCCC4)C3)C2)cn1.
What is the InChIKey of 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is BPEPSPSDMXCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-26-20-22-12-19(13-23-20)15-25-11-9-21(17-25)8-5-10-24(16-21)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-17H2,1H3.
What are the key properties of 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 358.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45239115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).