(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene

C18H34N2 — CID 11300425

IUPAC(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene
SMILESC1=C\CCN2CCCCCCN(CC/1)CCCCCC2
InChIInChI=1S/C18H34N2/c1-2-8-14-20-17-11-5-3-9-15-19(13-7-1)16-10-4-6-12-18-20/h1-2H,3-18H2/b2-1-
InChIKeyJGNDYAKMSFXKKL-UPHRSURJSA-N
MW278.48 g/mol
LogP4.07
Rot. Bonds

About (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene

(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene (PubChem CID 11300425) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene.

Molecular Properties

Compound Name(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene
PubChem CID11300425
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene
SMILESC1=C\CCN2CCCCCCN(CC/1)CCCCCC2
InChIInChI=1S/C18H34N2/c1-2-8-14-20-17-11-5-3-9-15-19(13-7-1)16-10-4-6-12-18-20/h1-2H,3-18H2/b2-1-
InChIKeyJGNDYAKMSFXKKL-UPHRSURJSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene?
The IUPAC name of (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene (CID 11300425) is (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene.
What is the SMILES notation for (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene?
The canonical SMILES for (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene is C1=C\CCN2CCCCCCN(CC/1)CCCCCC2.
What is the InChIKey of (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene?
The InChIKey is JGNDYAKMSFXKKL-UPHRSURJSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-8-14-20-17-11-5-3-9-15-19(13-7-1)16-10-4-6-12-18-20/h1-2H,3-18H2/b2-1-.
What are the key properties of (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene?
(4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene has a molecular weight of 278.48 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,8-diazabicyclo[6.6.6]icos-4-ene is sourced from PubChem (CID 11300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).