1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine

C22H34N6 — CID 22244847

IUPAC1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine
SMILESCC/N=C(/NCC)N(CC)CC.[H]/N=C(\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3.C9H21N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-10-9(11-6-2)12(7-3)8-4/h1-10H,(H3,14,15);5-8H2,1-4H3,(H,10,11)
InChIKeyABGMPSLCXWDJNS-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.03
Rot. Bonds6

About 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine

1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine (PubChem CID 22244847) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine.

Molecular Properties

Compound Name1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine
PubChem CID22244847
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine
SMILESCC/N=C(/NCC)N(CC)CC.[H]/N=C(\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3.C9H21N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-10-9(11-6-2)12(7-3)8-4/h1-10H,(H3,14,15);5-8H2,1-4H3,(H,10,11)
InChIKeyABGMPSLCXWDJNS-UHFFFAOYSA-N
XLogP4.03
TPSA80.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine?
The IUPAC name of 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine (CID 22244847) is 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine.
What is the SMILES notation for 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine?
The canonical SMILES for 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine is CC/N=C(/NCC)N(CC)CC.[H]/N=C(\N)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine?
The InChIKey is ABGMPSLCXWDJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C9H21N3/c14-13(15)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-10-9(11-6-2)12(7-3)8-4/h1-10H,(H3,14,15);5-8H2,1-4H3,(H,10,11).
What are the key properties of 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine?
1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine has a molecular weight of 382.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylguanidine;1,1,2,3-tetraethylguanidine is sourced from PubChem (CID 22244847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).