N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide

C14H14N4 — CID 71333642

IUPACN'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide
SMILESN/C=N/c1ccc(-c2ccc(/N=C/N)cc2)cc1
InChIInChI=1S/C14H14N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-10H,(H2,15,17)(H2,16,18)
InChIKeyRRKLRXYVXFBZFE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.59
Rot. Bonds3

About N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide

N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide (PubChem CID 71333642) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide
PubChem CID71333642
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide
SMILESN/C=N/c1ccc(-c2ccc(/N=C/N)cc2)cc1
InChIInChI=1S/C14H14N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-10H,(H2,15,17)(H2,16,18)
InChIKeyRRKLRXYVXFBZFE-UHFFFAOYSA-N
XLogP2.59
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide?
The IUPAC name of N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide (CID 71333642) is N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide.
What is the SMILES notation for N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide?
The canonical SMILES for N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide is N/C=N/c1ccc(-c2ccc(/N=C/N)cc2)cc1.
What is the InChIKey of N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide?
The InChIKey is RRKLRXYVXFBZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-10-16/h1-10H,(H2,15,17)(H2,16,18).
What are the key properties of N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide?
N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide has a molecular weight of 238.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(aminomethylideneamino)phenyl]phenyl]methanimidamide is sourced from PubChem (CID 71333642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).