[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride

C6H16ClN5 — CID 135624041

IUPAC[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride
SMILESCCCC/[NH+]=C(\N)N=C(N)N.[Cl-]
InChIInChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKKLWSPPIRBIEOV-UHFFFAOYSA-N
MW193.68 g/mol
LogP-5.54
Rot. Bonds3

About [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride

[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride (PubChem CID 135624041) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride
PubChem CID135624041
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride
SMILESCCCC/[NH+]=C(\N)N=C(N)N.[Cl-]
InChIInChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKKLWSPPIRBIEOV-UHFFFAOYSA-N
XLogP-5.54
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-5.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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 [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

Buformin Hydrochloride
CID 84976
Agmatinium(2+)
CID 5257176
4-(Aminobutyl)guanidine
CID 22677198
Biguanide, 1-sec-butyl-, monohydrochloride
CID 135624042
N,N'''-1,5-Pentanediylbisguanidine dihydrochloride
CID 135731761
N-(4-Amino-butyl)-guanidine dihydrochloride
CID 12358361
1-(4-Carbamimidamidobutyl)guanidine
CID 137332091
1-(5-Carbamimidamidopentyl)guanidine
CID 137332092
4-Aminobutyl(diaminomethylidene)azanium
CID 4569196
Butyl(diaminomethylidene)azanium
CID 3779347
Methylagmatine
CID 14583608
1-(4-Aminobutyl)guanidine hydrochloride
CID 20526980

Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride (CID 135624041) is [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride is CCCC/[NH+]=C(\N)N=C(N)N.[Cl-].
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride?
The InChIKey is KKLWSPPIRBIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride?
[amino-(diaminomethylideneamino)methylidene]-butylazanium chloride has a molecular weight of 193.68 g/mol, XLogP of -5.54, 3 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-butylazanium chloride is sourced from PubChem (CID 135624041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).