N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide

C14H17N3 — CID 118363268

IUPACN'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C14H17N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2,(H3,15,16,17)
InChIKeyXHTAODPNHWLMPW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds2

About N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide

N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 118363268) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
PubChem CID118363268
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(/N=C(\N)C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C14H17N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2,(H3,15,16,17)
InChIKeyXHTAODPNHWLMPW-UHFFFAOYSA-N
XLogP2.87
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide (CID 118363268) is N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(/N=C(\N)C1=CCCC=C1)C1=CC=CCC1.
What is the InChIKey of N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is XHTAODPNHWLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1,3,5,7,9-10H,2,4,6,8H2,(H3,15,16,17).
What are the key properties of N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide?
N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 118363268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).