5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

C21H31N5 — CID 142188262

IUPAC5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(CC3CCCCC3)nnc1-2
InChIInChI=1S/C21H31N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h15-16H,2-14H2,1H3
InChIKeyTVBANAGSSLFOIW-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.50
Rot. Bonds4

About 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 142188262) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
PubChem CID142188262
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(CC3CCCCC3)nnc1-2
InChIInChI=1S/C21H31N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h15-16H,2-14H2,1H3
InChIKeyTVBANAGSSLFOIW-UHFFFAOYSA-N
XLogP4.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene with MolForge

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Related Compounds

5-benzyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10132446
(E)-but-2-ene;5-[(E)-but-1-enyl]-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene;ethane
CID 142188291
1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 71179514
3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
CID 105460839
3-cycloheptyl-5-ethyltriazole-4-carbaldehyde
CID 105478077
1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
CID 117124434
3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82699740
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
1-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)propan-1-ol
CID 82700773
3-(chloromethyl)-5-(cyclohexylmethyl)-4-cyclopropyl-1,2,4-triazole
CID 115397776

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The IUPAC name of 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (CID 142188262) is 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.
What is the SMILES notation for 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The canonical SMILES for 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1nn(C2CCCC2)c2c1CCn1c(CC3CCCCC3)nnc1-2.
What is the InChIKey of 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The InChIKey is TVBANAGSSLFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-2-18-17-12-13-25-19(14-15-8-4-3-5-9-15)22-23-21(25)20(17)26(24-18)16-10-6-7-11-16/h15-16H,2-14H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 353.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 142188262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).