2-benzyl-1-(diaminomethylidene)guanidine

C9H13N5 — CID 15006

IUPAC2-benzyl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
InChIKeyIBWXAMPUVRBFIS-UHFFFAOYSA-N
MW191.24 g/mol
LogP-0.23
Rot. Bonds2

About 2-benzyl-1-(diaminomethylidene)guanidine

2-benzyl-1-(diaminomethylidene)guanidine (PubChem CID 15006) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-benzyl-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(diaminomethylidene)guanidine
PubChem CID15006
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-benzyl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
InChIKeyIBWXAMPUVRBFIS-UHFFFAOYSA-N
XLogP-0.23
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 5-0.23
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

Benzylamine
CID 7504
Benzyl Isothiocyanate
CID 2346
Phenformin
CID 8249
1,3-Benzenedimethanamine
CID 15133
Bethanidine
CID 2368
3-Iodobenzylguanidine
CID 60860
1,4-Benzenedimethanamine
CID 68315
N-(3-(aminomethyl)benzyl)acetamidine
CID 1433
Phenformin Hydrochloride
CID 13266
Iobenguane I-131
CID 71184
N-(Phenylmethyl)guanidine
CID 16644
Iobenguane I-123
CID 135326

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-benzyl-1-(diaminomethylidene)guanidine (CID 15006) is 2-benzyl-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-benzyl-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-benzyl-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(diaminomethylidene)guanidine?
The InChIKey is IBWXAMPUVRBFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14).
What are the key properties of 2-benzyl-1-(diaminomethylidene)guanidine?
2-benzyl-1-(diaminomethylidene)guanidine has a molecular weight of 191.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 15006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).