2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine

C15H17N5 — CID 168590998

IUPAC2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
SMILESCN(c1ccccc1)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C15H17N5/c1-20(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-18-19-15(16)17/h2-11H,1H3,(H4,16,17,19)
InChIKeyFEGHBXTXQRRKEY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.06
Rot. Bonds4

About 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine

2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine (PubChem CID 168590998) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
PubChem CID168590998
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
SMILESCN(c1ccccc1)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C15H17N5/c1-20(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-18-19-15(16)17/h2-11H,1H3,(H4,16,17,19)
InChIKeyFEGHBXTXQRRKEY-UHFFFAOYSA-N
XLogP2.06
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine (CID 168590998) is 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine is CN(c1ccccc1)c1ccc(C=NN=C(N)N)cc1.
What is the InChIKey of 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine?
The InChIKey is FEGHBXTXQRRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-18-19-15(16)17/h2-11H,1H3,(H4,16,17,19).
What are the key properties of 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine?
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine has a molecular weight of 267.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).