2-[6-(diaminomethylideneamino)hexyl]guanidine

C8H20N6 — CID 23819

IUPAC2-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESNC(N)=NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyWBLYUCKTWSGGBI-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.91
Rot. Bonds7

About 2-[6-(diaminomethylideneamino)hexyl]guanidine

2-[6-(diaminomethylideneamino)hexyl]guanidine (PubChem CID 23819) has the molecular formula C8H20N6 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[6-(diaminomethylideneamino)hexyl]guanidine.

Molecular Properties

Compound Name2-[6-(diaminomethylideneamino)hexyl]guanidine
PubChem CID23819
Molecular FormulaC8H20N6
Molecular Weight200.29 g/mol
Exact Mass200.17
IUPAC Name2-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESNC(N)=NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyWBLYUCKTWSGGBI-UHFFFAOYSA-N
XLogP-0.91
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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'}

Analyze 2-[6-(diaminomethylideneamino)hexyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diaminomethylideneamino)hexyl]guanidine?
The IUPAC name of 2-[6-(diaminomethylideneamino)hexyl]guanidine (CID 23819) is 2-[6-(diaminomethylideneamino)hexyl]guanidine.
What is the SMILES notation for 2-[6-(diaminomethylideneamino)hexyl]guanidine?
The canonical SMILES for 2-[6-(diaminomethylideneamino)hexyl]guanidine is NC(N)=NCCCCCCN=C(N)N.
What is the InChIKey of 2-[6-(diaminomethylideneamino)hexyl]guanidine?
The InChIKey is WBLYUCKTWSGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14).
What are the key properties of 2-[6-(diaminomethylideneamino)hexyl]guanidine?
2-[6-(diaminomethylideneamino)hexyl]guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diaminomethylideneamino)hexyl]guanidine is sourced from PubChem (CID 23819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).