1,14-diazabicyclo[11.4.0]heptadec-13-ene

C15H28N2 — CID 12713372

IUPAC1,14-diazabicyclo[11.4.0]heptadec-13-ene
SMILESC1CCCCCC2=NCCCN2CCCCC1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-11-15-16-12-10-14-17(15)13-9-7-5-3-1/h1-14H2
InChIKeySCWCPVFLCKFQJM-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.01
Rot. Bonds

About 1,14-diazabicyclo[11.4.0]heptadec-13-ene

1,14-diazabicyclo[11.4.0]heptadec-13-ene (PubChem CID 12713372) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,14-diazabicyclo[11.4.0]heptadec-13-ene.

Molecular Properties

Compound Name1,14-diazabicyclo[11.4.0]heptadec-13-ene
PubChem CID12713372
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1,14-diazabicyclo[11.4.0]heptadec-13-ene
SMILESC1CCCCCC2=NCCCN2CCCCC1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-11-15-16-12-10-14-17(15)13-9-7-5-3-1/h1-14H2
InChIKeySCWCPVFLCKFQJM-UHFFFAOYSA-N
XLogP4.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,14-diazabicyclo[11.4.0]heptadec-13-ene?
The IUPAC name of 1,14-diazabicyclo[11.4.0]heptadec-13-ene (CID 12713372) is 1,14-diazabicyclo[11.4.0]heptadec-13-ene.
What is the SMILES notation for 1,14-diazabicyclo[11.4.0]heptadec-13-ene?
The canonical SMILES for 1,14-diazabicyclo[11.4.0]heptadec-13-ene is C1CCCCCC2=NCCCN2CCCCC1.
What is the InChIKey of 1,14-diazabicyclo[11.4.0]heptadec-13-ene?
The InChIKey is SCWCPVFLCKFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-4-6-8-11-15-16-12-10-14-17(15)13-9-7-5-3-1/h1-14H2.
What are the key properties of 1,14-diazabicyclo[11.4.0]heptadec-13-ene?
1,14-diazabicyclo[11.4.0]heptadec-13-ene has a molecular weight of 236.40 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-diazabicyclo[11.4.0]heptadec-13-ene is sourced from PubChem (CID 12713372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).