1,2-diazacyclotetradecene-3-carbonitrile

C13H23N3 — CID 174793760

IUPAC1,2-diazacyclotetradecene-3-carbonitrile
SMILESN#CC1CCCCCCCCCCC/N=N\1
InChIInChI=1S/C13H23N3/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-15-16-13/h13H,1-11H2/b16-15-
InChIKeyJYUZBHXPOIJTIC-NXVVXOECSA-N
MW221.35 g/mol
LogP4.25
Rot. Bonds

About 1,2-diazacyclotetradecene-3-carbonitrile

1,2-diazacyclotetradecene-3-carbonitrile (PubChem CID 174793760) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1,2-diazacyclotetradecene-3-carbonitrile.

Molecular Properties

Compound Name1,2-diazacyclotetradecene-3-carbonitrile
PubChem CID174793760
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1,2-diazacyclotetradecene-3-carbonitrile
SMILESN#CC1CCCCCCCCCCC/N=N\1
InChIInChI=1S/C13H23N3/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-15-16-13/h13H,1-11H2/b16-15-
InChIKeyJYUZBHXPOIJTIC-NXVVXOECSA-N
XLogP4.25
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazacyclotetradecene-3-carbonitrile?
The IUPAC name of 1,2-diazacyclotetradecene-3-carbonitrile (CID 174793760) is 1,2-diazacyclotetradecene-3-carbonitrile.
What is the SMILES notation for 1,2-diazacyclotetradecene-3-carbonitrile?
The canonical SMILES for 1,2-diazacyclotetradecene-3-carbonitrile is N#CC1CCCCCCCCCCC/N=N\1.
What is the InChIKey of 1,2-diazacyclotetradecene-3-carbonitrile?
The InChIKey is JYUZBHXPOIJTIC-NXVVXOECSA-N. The full InChI is InChI=1S/C13H23N3/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-15-16-13/h13H,1-11H2/b16-15-.
What are the key properties of 1,2-diazacyclotetradecene-3-carbonitrile?
1,2-diazacyclotetradecene-3-carbonitrile has a molecular weight of 221.35 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazacyclotetradecene-3-carbonitrile is sourced from PubChem (CID 174793760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).