1-(diaminomethylidene)-2-phenylguanidine

C8H11N5 — CID 4780

IUPAC1-(diaminomethylidene)-2-phenylguanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1
InChIInChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
InChIKeyCUQCMXFWIMOWRP-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.09
Rot. Bonds1

About 1-(diaminomethylidene)-2-phenylguanidine

1-(diaminomethylidene)-2-phenylguanidine (PubChem CID 4780) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-phenylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-phenylguanidine
PubChem CID4780
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(diaminomethylidene)-2-phenylguanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1
InChIInChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
InChIKeyCUQCMXFWIMOWRP-UHFFFAOYSA-N
XLogP-0.09
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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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Related Compounds

Aniline
CID 6115
P-Phenylenediamine
CID 7814
Benzenamine hydrochloride (1:1)
CID 8870
o-Tolylbiguanide
CID 7155
N-Phenylguanidine
CID 16157
(4-Chlorophenyl)biguanide
CID 19933
Benzenamine, hydrobromide (1:1)
CID 68330
1-Phenylbiguanide monohydrochloride
CID 5932
Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CID 2730228
N,N-Dimethyl-N'-phenylmethanimidamide
CID 15692
Aniline-d5
CID 123211
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-phenylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-phenylguanidine (CID 4780) is 1-(diaminomethylidene)-2-phenylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-phenylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-phenylguanidine is NC(N)=N/C(N)=N/c1ccccc1.
What is the InChIKey of 1-(diaminomethylidene)-2-phenylguanidine?
The InChIKey is CUQCMXFWIMOWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-phenylguanidine?
1-(diaminomethylidene)-2-phenylguanidine has a molecular weight of 177.21 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-phenylguanidine is sourced from PubChem (CID 4780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).