(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene

C15H28N2 — CID 142731990

IUPAC(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene
SMILESC1=C\N2CCCNC2CCCCCCCCC/1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-11-15-16-12-10-14-17(15)13-9-7-5-3-1/h9,13,15-16H,1-8,10-12,14H2/b13-9-
InChIKeyOWLKZKVNCUIXKN-LCYFTJDESA-N
MW236.40 g/mol
LogP3.65
Rot. Bonds

About (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene

(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene (PubChem CID 142731990) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene.

Molecular Properties

Compound Name(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene
PubChem CID142731990
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene
SMILESC1=C\N2CCCNC2CCCCCCCCC/1
InChIInChI=1S/C15H28N2/c1-2-4-6-8-11-15-16-12-10-14-17(15)13-9-7-5-3-1/h9,13,15-16H,1-8,10-12,14H2/b13-9-
InChIKeyOWLKZKVNCUIXKN-LCYFTJDESA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68644270
2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-c]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene?
The IUPAC name of (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene (CID 142731990) is (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene.
What is the SMILES notation for (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene?
The canonical SMILES for (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene is C1=C\N2CCCNC2CCCCCCCCC/1.
What is the InChIKey of (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene?
The InChIKey is OWLKZKVNCUIXKN-LCYFTJDESA-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/h9,13,15-16H,1-8,10-12,14H2/b13-9-.
What are the key properties of (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene?
(2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene has a molecular weight of 236.40 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,14-diazabicyclo[11.4.0]heptadec-2-ene is sourced from PubChem (CID 142731990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).