1,1-dibenzylguanidine

C15H17N3 — CID 9487

IUPAC1,1-dibenzylguanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N3/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17)
InChIKeyMRXBEVRHPUOYNF-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.58
Rot. Bonds4

About 1,1-dibenzylguanidine

1,1-dibenzylguanidine (PubChem CID 9487) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,1-dibenzylguanidine.

Molecular Properties

Compound Name1,1-dibenzylguanidine
PubChem CID9487
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1,1-dibenzylguanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17N3/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17)
InChIKeyMRXBEVRHPUOYNF-UHFFFAOYSA-N
XLogP2.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.58
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

1-benzyl-1-phenylguanidine
CID 9460
1,1-bis[(2-methylphenyl)methyl]guanidine
CID 18981492
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
1,1-dibenzylthiourea
CID 3517261
N,N-dibenzylcyclopropanecarboximidamide
CID 63175386
1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
CID 69179529
1-chloro-1-(2-phenylethyl)guanidine;hydrochloride
CID 141146073
N,N-dibenzyl-2-(methylamino)prop-2-enimidamide
CID 146643292
N-benzyl-N-ethylbutanimidamide
CID 63175572
N-benzyl-N-ethyl-2-methylpropanimidamide
CID 63175573
2-phenylethanimidamide
CID 27787
carbamothioic S-acid;dibenzylcarbamothioic S-acid
CID 87091037

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzylguanidine?
The IUPAC name of 1,1-dibenzylguanidine (CID 9487) is 1,1-dibenzylguanidine.
What is the SMILES notation for 1,1-dibenzylguanidine?
The canonical SMILES for 1,1-dibenzylguanidine is [H]/N=C(\N)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzylguanidine?
The InChIKey is MRXBEVRHPUOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-15(17)18(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,16,17).
What are the key properties of 1,1-dibenzylguanidine?
1,1-dibenzylguanidine has a molecular weight of 239.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzylguanidine is sourced from PubChem (CID 9487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).