2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene

C13H19N3 — CID 90051138

IUPAC2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene
SMILESC1=CC(CNNNC2=CCCC=C2)=CCC1
InChIInChI=1S/C13H19N3/c1-3-7-12(8-4-1)11-14-16-15-13-9-5-2-6-10-13/h3,5,7-10,14-16H,1-2,4,6,11H2
InChIKeyFUNJILMUHZJIMN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.10
Rot. Bonds5

About 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene

2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene (PubChem CID 90051138) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene
PubChem CID90051138
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene
SMILESC1=CC(CNNNC2=CCCC=C2)=CCC1
InChIInChI=1S/C13H19N3/c1-3-7-12(8-4-1)11-14-16-15-13-9-5-2-6-10-13/h3,5,7-10,14-16H,1-2,4,6,11H2
InChIKeyFUNJILMUHZJIMN-UHFFFAOYSA-N
XLogP2.10
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene?
The IUPAC name of 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene (CID 90051138) is 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene is C1=CC(CNNNC2=CCCC=C2)=CCC1.
What is the InChIKey of 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene?
The InChIKey is FUNJILMUHZJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-7-12(8-4-1)11-14-16-15-13-9-5-2-6-10-13/h3,5,7-10,14-16H,1-2,4,6,11H2.
What are the key properties of 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene?
2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene has a molecular weight of 217.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexa-1,5-dien-1-ylamino)hydrazinyl]methyl]cyclohexa-1,3-diene is sourced from PubChem (CID 90051138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).