[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium

C28H34N4P+ — CID 159777980

IUPAC[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
SMILESCC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N4P/c1-22(29)32-28(30)31-21-23-17-19-27(20-18-23)33(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23,27H,17-21H2,1H3,(H4,29,30,31,32)/q+1
InChIKeyOLIBSXVVUVEPEI-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.23
Rot. Bonds6

About [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium

[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium (PubChem CID 159777980) has the molecular formula C28H34N4P+ and a molecular weight of 457.58 g/mol. Its IUPAC name is [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
PubChem CID159777980
Molecular FormulaC28H34N4P+
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
SMILESCC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N4P/c1-22(29)32-28(30)31-21-23-17-19-27(20-18-23)33(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23,27H,17-21H2,1H3,(H4,29,30,31,32)/q+1
InChIKeyOLIBSXVVUVEPEI-UHFFFAOYSA-N
XLogP4.23
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.23
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

10-[[Amino-(diaminomethylideneamino)methylidene]amino]decyl-triphenylphosphanium
CID 118889198
N'-[N'-(2-phenylethyl)carbamimidoyl]ethanimidamide
CID 168009893
6-[[Amino-(diaminomethylideneamino)methylidene]amino]hexyl-triphenylphosphanium
CID 118889180
[4-[[[Amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]methyl-triphenylphosphanium
CID 129056153
[4-[[[Amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
CID 129056313
N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide
CID 129290827
[4-[[[Amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]methyl-triphenylphosphanium;bromomethane
CID 145018883
[Amino-(diaminomethylideneamino)methylidene]-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methyl]azanium
CID 146804142
N-tert-butyl-N'-(cyclohexylmethyl)-1-diphenylphosphanylmethanimidamide
CID 155215925
[4-[[[Amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium
CID 158620633
[4-[[[Amino-(1-aminoethylideneamino)methylidene]amino]methyl]phenyl]methyl-triphenylphosphanium bromide
CID 159101385
[4-[[[Amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]methyl-triphenylphosphanium
CID 159397400

Frequently Asked Questions

What is the IUPAC name of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The IUPAC name of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium (CID 159777980) is [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium.
What is the SMILES notation for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The canonical SMILES for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium is CC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The InChIKey is OLIBSXVVUVEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4P/c1-22(29)32-28(30)31-21-23-17-19-27(20-18-23)33(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23,27H,17-21H2,1H3,(H4,29,30,31,32)/q+1.
What are the key properties of [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
[4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium has a molecular weight of 457.58 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[amino-(1-aminoethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium is sourced from PubChem (CID 159777980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).