2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine

C23H34N6 — CID 102226778

IUPAC2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)CCC/N=C(/N=C(N(C)C)N(C)C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N6/c1-26(2)19-13-18-24-22(25-23(27(3)4)28(5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/b24-22-
InChIKeyQHVYJFRTSDDSJL-GYHWCHFESA-N
MW394.57 g/mol
LogP3.61
Rot. Bonds6

About 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine

2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine (PubChem CID 102226778) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
PubChem CID102226778
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)CCC/N=C(/N=C(N(C)C)N(C)C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N6/c1-26(2)19-13-18-24-22(25-23(27(3)4)28(5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/b24-22-
InChIKeyQHVYJFRTSDDSJL-GYHWCHFESA-N
XLogP3.61
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine (CID 102226778) is 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine is CN(C)CCC/N=C(/N=C(N(C)C)N(C)C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is QHVYJFRTSDDSJL-GYHWCHFESA-N. The full InChI is InChI=1S/C23H34N6/c1-26(2)19-13-18-24-22(25-23(27(3)4)28(5)6)29(20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3/b24-22-.
What are the key properties of 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine?
2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 394.57 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 102226778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).