N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide

C15H16N2 — CID 144816078

IUPACN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\CC1=CCCC=C1)c1ccccc1
InChIInChI=1S/C15H16N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h3-4,6-11H,1-2,5,12H2/b17-15-
InChIKeyPJGZOOKBUWNDDZ-ICFOKQHNSA-N
MW224.31 g/mol
LogP3.41
Rot. Bonds3

About N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide

N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide (PubChem CID 144816078) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
PubChem CID144816078
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\CC1=CCCC=C1)c1ccccc1
InChIInChI=1S/C15H16N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h3-4,6-11H,1-2,5,12H2/b17-15-
InChIKeyPJGZOOKBUWNDDZ-ICFOKQHNSA-N
XLogP3.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide (CID 144816078) is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide is C=N/C(=N\CC1=CCCC=C1)c1ccccc1.
What is the InChIKey of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide?
The InChIKey is PJGZOOKBUWNDDZ-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H16N2/c1-16-15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h3-4,6-11H,1-2,5,12H2/b17-15-.
What are the key properties of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide?
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide has a molecular weight of 224.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 144816078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).