2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine

C18H20N2 — CID 659366

IUPAC2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
SMILES[H]N=c1c2c(n(Cc3ccccc3)c3c1CCC3)CCC2
InChIInChI=1S/C18H20N2/c19-18-14-8-4-10-16(14)20(17-11-5-9-15(17)18)12-13-6-2-1-3-7-13/h1-3,6-7,19H,4-5,8-12H2
InChIKeyFMJZREWCZDABCY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.99
Rot. Bonds2

About 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine

2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine (PubChem CID 659366) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine.

Molecular Properties

Compound Name2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
PubChem CID659366
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine
SMILES[H]N=c1c2c(n(Cc3ccccc3)c3c1CCC3)CCC2
InChIInChI=1S/C18H20N2/c19-18-14-8-4-10-16(14)20(17-11-5-9-15(17)18)12-13-6-2-1-3-7-13/h1-3,6-7,19H,4-5,8-12H2
InChIKeyFMJZREWCZDABCY-UHFFFAOYSA-N
XLogP2.99
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine with MolForge

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Related Compounds

4-(4-fluorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
CID 2857612
4-(3-Chloro-benzyl)-1,2,3,4,5,6,7,8-octahydro-cyclopenta[b]quinolin-9-ylideneamine
CID 9549480
4-(4-bromobenzyl)-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine
CID 15945727
4-(4-chlorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
CID 665017
4-benzyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
CID 828168
4-[(4-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
CID 828170
4-[(3-chlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
CID 828173
4-(4-chlorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine hydrochloride
CID 6603212
4-benzyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine hydrochloride
CID 6603247
CID 16193001
CID 16193001
N-benzyl-N,5,5-trimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 16196328
4-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydro-9H-cyclopenta[b]quinolin-9-imine
CID 23820479

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The IUPAC name of 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine (CID 659366) is 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine.
What is the SMILES notation for 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The canonical SMILES for 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine is [H]N=c1c2c(n(Cc3ccccc3)c3c1CCC3)CCC2.
What is the InChIKey of 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
The InChIKey is FMJZREWCZDABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-18-14-8-4-10-16(14)20(17-11-5-9-15(17)18)12-13-6-2-1-3-7-13/h1-3,6-7,19H,4-5,8-12H2.
What are the key properties of 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine?
2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine has a molecular weight of 264.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-dien-8-imine is sourced from PubChem (CID 659366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).