2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine

C22H47N7 — CID 46845149

IUPAC2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
SMILESCC(C)=CN/C(N)=N/CCCCCCCCNCCCCCCCCN=C(N)N
InChIInChI=1S/C22H47N7/c1-20(2)19-29-22(25)28-18-14-10-6-4-8-12-16-26-15-11-7-3-5-9-13-17-27-21(23)24/h19,26H,3-18H2,1-2H3,(H4,23,24,27)(H3,25,28,29)
InChIKeyURDOUXLPUICVCH-UHFFFAOYSA-N
MW409.67 g/mol
LogP3.36
Rot. Bonds19

About 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine

2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine (PubChem CID 46845149) has the molecular formula C22H47N7 and a molecular weight of 409.67 g/mol. Its IUPAC name is 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine.

Molecular Properties

Compound Name2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
PubChem CID46845149
Molecular FormulaC22H47N7
Molecular Weight409.67 g/mol
Exact Mass409.39
IUPAC Name2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine
SMILESCC(C)=CN/C(N)=N/CCCCCCCCNCCCCCCCCN=C(N)N
InChIInChI=1S/C22H47N7/c1-20(2)19-29-22(25)28-18-14-10-6-4-8-12-16-26-15-11-7-3-5-9-13-17-27-21(23)24/h19,26H,3-18H2,1-2H3,(H4,23,24,27)(H3,25,28,29)
InChIKeyURDOUXLPUICVCH-UHFFFAOYSA-N
XLogP3.36
TPSA126.84 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 53.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690
[8-(diaminomethylideneamino)octylamino]methylphosphonic acid;hydrate
CID 88668506
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176538744
N-[4-(3-aminobutylamino)butyl]-N'-[8-(diaminomethylideneamino)octyl]-2-hydroxypropanediamide
CID 19043112
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
CID 91298685
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
1-[6-[6-[[amino-(prop-2-ynylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-ynylguanidine
CID 176517604
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
N-[3-[4-(3-aminopropylamino)butylamino]-2-hydroxy-3-oxopropyl]-7-(diaminomethylideneamino)heptanamide
CID 14801245

Frequently Asked Questions

What is the IUPAC name of 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine?
The IUPAC name of 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine (CID 46845149) is 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine.
What is the SMILES notation for 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine?
The canonical SMILES for 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine is CC(C)=CN/C(N)=N/CCCCCCCCNCCCCCCCCN=C(N)N.
What is the InChIKey of 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine?
The InChIKey is URDOUXLPUICVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N7/c1-20(2)19-29-22(25)28-18-14-10-6-4-8-12-16-26-15-11-7-3-5-9-13-17-27-21(23)24/h19,26H,3-18H2,1-2H3,(H4,23,24,27)(H3,25,28,29).
What are the key properties of 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine?
2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine has a molecular weight of 409.67 g/mol, XLogP of 3.36, 19 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[8-(diaminomethylideneamino)octylamino]octyl]-1-(2-methylprop-1-enyl)guanidine is sourced from PubChem (CID 46845149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).