1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine

C13H14N4 — CID 163895491

IUPAC1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine
SMILESN#CN/C(N)=N/C1=C/C/C=C\C=C/C=C\C=C1
InChIInChI=1S/C13H14N4/c14-11-16-13(15)17-12-9-7-5-3-1-2-4-6-8-10-12/h1-7,9-10H,8H2,(H3,15,16,17)/b2-1-,5-3-,6-4-,9-7?,12-10+
InChIKeyQFFPKKSOVUOBQT-FAXILPIASA-N
MW226.28 g/mol
LogP1.88
Rot. Bonds1

About 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine

1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine (PubChem CID 163895491) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine
PubChem CID163895491
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine
SMILESN#CN/C(N)=N/C1=C/C/C=C\C=C/C=C\C=C1
InChIInChI=1S/C13H14N4/c14-11-16-13(15)17-12-9-7-5-3-1-2-4-6-8-10-12/h1-7,9-10H,8H2,(H3,15,16,17)/b2-1-,5-3-,6-4-,9-7?,12-10+
InChIKeyQFFPKKSOVUOBQT-FAXILPIASA-N
XLogP1.88
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.88
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'}

Analyze 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine with MolForge

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Related Compounds

1-Cyano-2-(cyclooctatetraenyl)guanidine
CID 134388078
2-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]-1-cyanoguanidine
CID 145296491
1-Cyclohepta-1,3,6-trien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 145606983
2-Cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
CID 146593506
1-Cyano-2-(4-methylcyclohexa-1,5-dien-1-yl)guanidine
CID 163862198
1-Cyano-2-(cyclooctatetraenyl)guanidine
CID 163941390
1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine
CID 163953153
1-Cyano-2-(cyclotetradecaheptaenyl)guanidine
CID 167222898
1-Cyano-2-(cyclododecahexaenyl)guanidine
CID 173706916
1-Cyano-2-(cyclooctatetraenyl)guanidine
CID 173751289
2-Cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine
CID 157078721
1-[Amino-(cyclopenta-1,4-dien-1-ylamino)methylidene]-2-methylguanidine
CID 157078723

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine?
The IUPAC name of 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine (CID 163895491) is 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine.
What is the SMILES notation for 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine?
The canonical SMILES for 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine is N#CN/C(N)=N/C1=C/C/C=C\C=C/C=C\C=C1.
What is the InChIKey of 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine?
The InChIKey is QFFPKKSOVUOBQT-FAXILPIASA-N. The full InChI is InChI=1S/C13H14N4/c14-11-16-13(15)17-12-9-7-5-3-1-2-4-6-8-10-12/h1-7,9-10H,8H2,(H3,15,16,17)/b2-1-,5-3-,6-4-,9-7?,12-10+.
What are the key properties of 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine?
1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine has a molecular weight of 226.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine is sourced from PubChem (CID 163895491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).