1-benzyl-2,3-dimethylguanidine

C10H15N3 — CID 2368

💊View drug profile → betanidine
IUPAC1-benzyl-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccccc1
InChIInChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
InChIKeyNIVZHWNOUVJHKV-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.98
Rot. Bonds2

About 1-benzyl-2,3-dimethylguanidine

1-benzyl-2,3-dimethylguanidine (PubChem CID 2368) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-benzyl-2,3-dimethylguanidine
PubChem CID2368
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-benzyl-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCc1ccccc1
InChIInChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
InChIKeyNIVZHWNOUVJHKV-UHFFFAOYSA-N
XLogP0.98
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
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

N-Methylbenzylamine
CID 7669
N-(Phenylmethyl)guanidine
CID 16644
N-(Phenylmethyl)thiourea
CID 737375
Methylbenzylamine hydrochloride
CID 9855548
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080
2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
2-Benzyl-1-cyanoguanidine
CID 373917
Batel
CID 8248
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)
CID 44221519
4-(Benzylamino)-6-(ethylamino)-1,3,5-triazine-2-thiol
CID 976819
4-(Benzylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 976872

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethylguanidine?
The IUPAC name of 1-benzyl-2,3-dimethylguanidine (CID 2368) is 1-benzyl-2,3-dimethylguanidine.
What is the SMILES notation for 1-benzyl-2,3-dimethylguanidine?
The canonical SMILES for 1-benzyl-2,3-dimethylguanidine is C/N=C(\NC)NCc1ccccc1.
What is the InChIKey of 1-benzyl-2,3-dimethylguanidine?
The InChIKey is NIVZHWNOUVJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-benzyl-2,3-dimethylguanidine?
1-benzyl-2,3-dimethylguanidine has a molecular weight of 177.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethylguanidine is sourced from PubChem (CID 2368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).