[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium

C27H33N5P+ — CID 129056313

IUPAC[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H33N5P/c28-26(29)32-27(30)31-20-21-16-18-25(19-17-21)33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20H2,(H6,28,29,30,31,32)/q+1
InChIKeyUMFKCCWNZMWWJN-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.13
Rot. Bonds6

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

[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium (PubChem CID 129056313) has the molecular formula C27H33N5P+ and a molecular weight of 458.57 g/mol. Its IUPAC name is [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
PubChem CID129056313
Molecular FormulaC27H33N5P+
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium
SMILESNC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H33N5P/c28-26(29)32-27(30)31-20-21-16-18-25(19-17-21)33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20H2,(H6,28,29,30,31,32)/q+1
InChIKeyUMFKCCWNZMWWJN-UHFFFAOYSA-N
XLogP3.13
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.13
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The IUPAC name of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium (CID 129056313) is [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium.
What is the SMILES notation for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The canonical SMILES for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium is NC(N)=N/C(N)=N/CC1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
The InChIKey is UMFKCCWNZMWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5P/c28-26(29)32-27(30)31-20-21-16-18-25(19-17-21)33(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,25H,16-20H2,(H6,28,29,30,31,32)/q+1.
What are the key properties of [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium?
[4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium has a molecular weight of 458.57 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[amino-(diaminomethylideneamino)methylidene]amino]methyl]cyclohexyl]-triphenylphosphanium is sourced from PubChem (CID 129056313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).