(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene

C18H25N — CID 155589594

IUPAC(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene
SMILESCCC1=C/C=C2/C=CC(C)(C)C=N/C2=C/C(C)(C)C1
InChIInChI=1S/C18H25N/c1-6-14-7-8-15-9-10-17(2,3)13-19-16(15)12-18(4,5)11-14/h7-10,12-13H,6,11H2,1-5H3/b14-7?,15-8-,16-12+
InChIKeyIFLROVSUPKTJEV-YCYMCDSGSA-N
MW255.41 g/mol
LogP5.23
Rot. Bonds1

About (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene

(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene (PubChem CID 155589594) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene.

Molecular Properties

Compound Name(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene
PubChem CID155589594
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene
SMILESCCC1=C/C=C2/C=CC(C)(C)C=N/C2=C/C(C)(C)C1
InChIInChI=1S/C18H25N/c1-6-14-7-8-15-9-10-17(2,3)13-19-16(15)12-18(4,5)11-14/h7-10,12-13H,6,11H2,1-5H3/b14-7?,15-8-,16-12+
InChIKeyIFLROVSUPKTJEV-YCYMCDSGSA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene?
The IUPAC name of (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene (CID 155589594) is (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene.
What is the SMILES notation for (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene?
The canonical SMILES for (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene is CCC1=C/C=C2/C=CC(C)(C)C=N/C2=C/C(C)(C)C1.
What is the InChIKey of (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene?
The InChIKey is IFLROVSUPKTJEV-YCYMCDSGSA-N. The full InChI is InChI=1S/C18H25N/c1-6-14-7-8-15-9-10-17(2,3)13-19-16(15)12-18(4,5)11-14/h7-10,12-13H,6,11H2,1-5H3/b14-7?,15-8-,16-12+.
What are the key properties of (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene?
(1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene has a molecular weight of 255.41 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7E)-4-ethyl-6,6,11,11-tetramethyl-9-azabicyclo[6.5.0]trideca-1,3,7,9,12-pentaene is sourced from PubChem (CID 155589594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).