2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine

C30H41BrN5P — CID 138567266

IUPAC2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41BrN5P/c31-37(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-35-30(34)36-29(32)33/h7-15,18-23H,1-6,16-17,24-25H2,(H6,32,33,34,35,36)
InChIKeyAITSVOSSVIEPIP-UHFFFAOYSA-N
MW582.57 g/mol
LogP5.53
Rot. Bonds14

About 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine

2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine (PubChem CID 138567266) has the molecular formula C30H41BrN5P and a molecular weight of 582.57 g/mol. Its IUPAC name is 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine
PubChem CID138567266
Molecular FormulaC30H41BrN5P
Molecular Weight582.57 g/mol
Exact Mass581.23
IUPAC Name2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41BrN5P/c31-37(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-35-30(34)36-29(32)33/h7-15,18-23H,1-6,16-17,24-25H2,(H6,32,33,34,35,36)
InChIKeyAITSVOSSVIEPIP-UHFFFAOYSA-N
XLogP5.53
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.57
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;1-phenoxyethanol
CID 174949127
2-[N'-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]carbamimidoyl]-1,3-bis(4-chlorophenyl)guanidine;dihydrochloride
CID 20843964
1-benzyl-1-methyl-2-(N'-nonylcarbamimidoyl)guanidine;dihydrochloride
CID 86657179

Frequently Asked Questions

What is the IUPAC name of 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine (CID 138567266) is 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine?
The InChIKey is AITSVOSSVIEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41BrN5P/c31-37(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-35-30(34)36-29(32)33/h7-15,18-23H,1-6,16-17,24-25H2,(H6,32,33,34,35,36).
What are the key properties of 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine?
2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine has a molecular weight of 582.57 g/mol, XLogP of 5.53, 14 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 138567266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).