1-(diaminomethylidene)-2-(2-phenylethyl)guanidine

C10H15N5 — CID 8249

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IUPAC1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
SMILESNC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChIKeyICFJFFQQTFMIBG-UHFFFAOYSA-N
MW205.27 g/mol
LogP-0.18
Rot. Bonds3

About 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine

1-(diaminomethylidene)-2-(2-phenylethyl)guanidine (PubChem CID 8249) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
PubChem CID8249
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
SMILESNC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChIKeyICFJFFQQTFMIBG-UHFFFAOYSA-N
XLogP-0.18
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 5-0.18
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

Phenethylamine
CID 1001
Phenethyl Isothiocyanate
CID 16741
3-Iodobenzylguanidine
CID 60860
Phenformin Hydrochloride
CID 13266
N-(Phenylmethyl)guanidine
CID 16644
Iobenguane I-123
CID 135326
(4-Isothiocyanatobutyl)benzene
CID 124881
Iobenguane I-131
CID 71184
Phenethyl isocyanate
CID 160602
3-Phenylpropyl isothiocyanate
CID 75815
2-Phenylethylamine hydrochloride
CID 9075
Phenylbutyl Isoselenocyanate
CID 25015746

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine (CID 8249) is 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine is NC(N)=N/C(N)=N/CCc1ccccc1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine?
The InChIKey is ICFJFFQQTFMIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine?
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine has a molecular weight of 205.27 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 8249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).