8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane

C18H28N4 — CID 155739639

IUPAC8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2c1ncc(C2CCCCC2)cn1
InChIInChI=1S/C18H28N4/c1-2-21-12-16-8-9-17(13-21)22(16)18-19-10-15(11-20-18)14-6-4-3-5-7-14/h10-11,14,16-17H,2-9,12-13H2,1H3
InChIKeyWZYLTODCORCNGQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.20
Rot. Bonds3

About 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane

8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 155739639) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID155739639
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CCC(C1)N2c1ncc(C2CCCCC2)cn1
InChIInChI=1S/C18H28N4/c1-2-21-12-16-8-9-17(13-21)22(16)18-19-10-15(11-20-18)14-6-4-3-5-7-14/h10-11,14,16-17H,2-9,12-13H2,1H3
InChIKeyWZYLTODCORCNGQ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]methyl]-N-methylcyclohexanecarboxamide
CID 163400980
1-cyclohexylpropan-1-one;8-(5-piperidin-4-ylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739992
8-[5-(1-ethylpiperidin-4-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methyl-1-spiro[3.3]heptan-2-ylpropan-1-one
CID 155740257
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
4-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]butan-1-ol
CID 155739825
3-methyl-8-[5-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 167109955
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
2-methyl-1-[3-[[4-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]methyl]cyclobutyl]propan-1-one
CID 155405472
ethane;8-[5-[1-(9-methoxynonyl)piperidin-4-yl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739656
[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
2-methoxy-N-[6-[4-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]hexyl]acetamide
CID 167109842
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804

Frequently Asked Questions

What is the IUPAC name of 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane (CID 155739639) is 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane is CCN1CC2CCC(C1)N2c1ncc(C2CCCCC2)cn1.
What is the InChIKey of 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is WZYLTODCORCNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-2-21-12-16-8-9-17(13-21)22(16)18-19-10-15(11-20-18)14-6-4-3-5-7-14/h10-11,14,16-17H,2-9,12-13H2,1H3.
What are the key properties of 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane?
8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 300.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyclohexylpyrimidin-2-yl)-3-ethyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 155739639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).