1-cyano-2-(cyclotetradecaheptaenyl)guanidine

C16H16N4 — CID 167222898

IUPAC1-cyano-2-(cyclotetradecaheptaenyl)guanidine
SMILESN#CN/C(N)=N/c1ccccccccccccc1
InChIInChI=1S/C16H16N4/c17-14-19-16(18)20-15-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H,(H3,18,19,20)/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12-,15-13+
InChIKeyQNCGXBCCCFJJGF-LFGHUIENSA-N
MW264.33 g/mol
LogP2.95
Rot. Bonds1

About 1-cyano-2-(cyclotetradecaheptaenyl)guanidine

1-cyano-2-(cyclotetradecaheptaenyl)guanidine (PubChem CID 167222898) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyano-2-(cyclotetradecaheptaenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(cyclotetradecaheptaenyl)guanidine
PubChem CID167222898
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-cyano-2-(cyclotetradecaheptaenyl)guanidine
SMILESN#CN/C(N)=N/c1ccccccccccccc1
InChIInChI=1S/C16H16N4/c17-14-19-16(18)20-15-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H,(H3,18,19,20)/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12-,15-13+
InChIKeyQNCGXBCCCFJJGF-LFGHUIENSA-N
XLogP2.95
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(cyclotetradecaheptaenyl)guanidine?
The IUPAC name of 1-cyano-2-(cyclotetradecaheptaenyl)guanidine (CID 167222898) is 1-cyano-2-(cyclotetradecaheptaenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(cyclotetradecaheptaenyl)guanidine?
The canonical SMILES for 1-cyano-2-(cyclotetradecaheptaenyl)guanidine is N#CN/C(N)=N/c1ccccccccccccc1.
What is the InChIKey of 1-cyano-2-(cyclotetradecaheptaenyl)guanidine?
The InChIKey is QNCGXBCCCFJJGF-LFGHUIENSA-N. The full InChI is InChI=1S/C16H16N4/c17-14-19-16(18)20-15-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H,(H3,18,19,20)/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7-,10-8-,11-9+,12-10+,13-11+,15-12-,15-13+.
What are the key properties of 1-cyano-2-(cyclotetradecaheptaenyl)guanidine?
1-cyano-2-(cyclotetradecaheptaenyl)guanidine has a molecular weight of 264.33 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(cyclotetradecaheptaenyl)guanidine is sourced from PubChem (CID 167222898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).