diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium

C6H17N6+ — CID 137332091

IUPACdiaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium
SMILESNC(N)=NCCCC[NH+]=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)/p+1
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-O
MW173.24 g/mol
LogP-3.61
Rot. Bonds5

About diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium

diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium (PubChem CID 137332091) has the molecular formula C6H17N6+ and a molecular weight of 173.24 g/mol. Its IUPAC name is diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium
PubChem CID137332091
Molecular FormulaC6H17N6+
Molecular Weight173.24 g/mol
Exact Mass173.15
IUPAC Namediaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium
SMILESNC(N)=NCCCC[NH+]=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)/p+1
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-O
XLogP-3.61
TPSA130.41 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-3.61
H-Bond Donors ≤ 55
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'}

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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium?
The IUPAC name of diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium (CID 137332091) is diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium.
What is the SMILES notation for diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium?
The canonical SMILES for diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium is NC(N)=NCCCC[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium?
The InChIKey is HGMDNMBBCKDWTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)/p+1.
What are the key properties of diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium?
diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium has a molecular weight of 173.24 g/mol, XLogP of -3.61, 5 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[4-(diaminomethylideneamino)butyl]azanium is sourced from PubChem (CID 137332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).