18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene

C25H31N — CID 57132051

IUPAC18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESC1=CCC23CCC(CC4CCCC4)CCC2=c2ccccc2=NCC3=C1
InChIInChI=1S/C25H31N/c1-2-8-19(7-1)17-20-12-13-23-22-10-3-4-11-24(22)26-18-21-9-5-6-15-25(21,23)16-14-20/h3-6,9-11,19-20H,1-2,7-8,12-18H2
InChIKeyFVVWQROVMJOYRY-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.11
Rot. Bonds2

About 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene

18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (PubChem CID 57132051) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.

Molecular Properties

Compound Name18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
PubChem CID57132051
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
SMILESC1=CCC23CCC(CC4CCCC4)CCC2=c2ccccc2=NCC3=C1
InChIInChI=1S/C25H31N/c1-2-8-19(7-1)17-20-12-13-23-22-10-3-4-11-24(22)26-18-21-9-5-6-15-25(21,23)16-14-20/h3-6,9-11,19-20H,1-2,7-8,12-18H2
InChIKeyFVVWQROVMJOYRY-UHFFFAOYSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene with MolForge

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Related Compounds

18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
8-Azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57316047
10-(2,5,5-Trimethylhexan-3-yl)-4a,8,9,10b-tetrahydrocyclohepta[b]indole
CID 123542412
7-Tert-butyl-4-ethyl-5-(1-methylcyclopentyl)-2,3-dihydroquinoline
CID 167038022
3-(Cyclohexa-1,3-dien-1-ylmethyl)-5-ethyl-3-(2-methylpropyl)-2,4-dihydropyrrole
CID 170215521

Frequently Asked Questions

What is the IUPAC name of 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The IUPAC name of 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene (CID 57132051) is 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene.
What is the SMILES notation for 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The canonical SMILES for 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is C1=CCC23CCC(CC4CCCC4)CCC2=c2ccccc2=NCC3=C1.
What is the InChIKey of 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
The InChIKey is FVVWQROVMJOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N/c1-2-8-19(7-1)17-20-12-13-23-22-10-3-4-11-24(22)26-18-21-9-5-6-15-25(21,23)16-14-20/h3-6,9-11,19-20H,1-2,7-8,12-18H2.
What are the key properties of 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene?
18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene has a molecular weight of 345.53 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(cyclopentylmethyl)-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene is sourced from PubChem (CID 57132051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).