[amino-(diaminomethylideneamino)methylidene]-diethylazanium

C6H16N5+ — CID 140927142

IUPAC[amino-(diaminomethylideneamino)methylidene]-diethylazanium
SMILESCC[N+](CC)=C(N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-3-11(4-2)6(9)10-5(7)8/h3-4H2,1-2H3,(H5,7,8,9,10)/p+1
InChIKeyRTTNMYWPMMYGIS-UHFFFAOYSA-O
MW158.23 g/mol
LogP-1.37
Rot. Bonds2

About [amino-(diaminomethylideneamino)methylidene]-diethylazanium

[amino-(diaminomethylideneamino)methylidene]-diethylazanium (PubChem CID 140927142) has the molecular formula C6H16N5+ and a molecular weight of 158.23 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-diethylazanium.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-diethylazanium
PubChem CID140927142
Molecular FormulaC6H16N5+
Molecular Weight158.23 g/mol
Exact Mass158.14
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-diethylazanium
SMILESCC[N+](CC)=C(N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-3-11(4-2)6(9)10-5(7)8/h3-4H2,1-2H3,(H5,7,8,9,10)/p+1
InChIKeyRTTNMYWPMMYGIS-UHFFFAOYSA-O
XLogP-1.37
TPSA93.43 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(Dimethylamino)propyl]guanidine
CID 247145
N-(3-Diethylamino-propyl)-guanidine
CID 3721391
N-Ethylimidodicarbonimidic diamide
CID 16446
N-(2-Diethylamino-ethyl)-guanidine
CID 18645
N-[2-(Dimethylamino)ethyl]guanidine
CID 26500
2-[1-(Diaminomethylideneamino)ethyl]guanidine
CID 19742602
2-(Diaminomethylideneamino)ethyl-trimethylazanium
CID 56290
1-(3-(Diethylamino)propyl)biguanide
CID 11971281
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359
3-(Diaminomethylideneamino)propyl-trimethylazanium
CID 56410
3-(Diaminomethylideneamino)propyl-diethyl-methylazanium
CID 56609
4-(Diaminomethylideneamino)butyl-diethyl-methylazanium
CID 56730

Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-diethylazanium?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-diethylazanium (CID 140927142) is [amino-(diaminomethylideneamino)methylidene]-diethylazanium.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-diethylazanium?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-diethylazanium is CC[N+](CC)=C(N)N=C(N)N.
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-diethylazanium?
The InChIKey is RTTNMYWPMMYGIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N5/c1-3-11(4-2)6(9)10-5(7)8/h3-4H2,1-2H3,(H5,7,8,9,10)/p+1.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-diethylazanium?
[amino-(diaminomethylideneamino)methylidene]-diethylazanium has a molecular weight of 158.23 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-diethylazanium is sourced from PubChem (CID 140927142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).