(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine

C16H37N11 — CID 176538744

IUPAC(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESNC(N)=NCCCCCC/N=C(N)/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C16H37N11/c17-13(18)23-9-5-1-3-7-11-25-15(21)27-16(22)26-12-8-4-2-6-10-24-14(19)20/h1-12H2,(H4,17,18,23)(H4,19,20,24)(H5,21,22,25,26,27)
InChIKeyRCNDQROBXCUVKW-UHFFFAOYSA-N
MW383.55 g/mol
LogP-1.13
Rot. Bonds14

About (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine

(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine (PubChem CID 176538744) has the molecular formula C16H37N11 and a molecular weight of 383.55 g/mol. Its IUPAC name is (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine.

Molecular Properties

Compound Name(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
PubChem CID176538744
Molecular FormulaC16H37N11
Molecular Weight383.55 g/mol
Exact Mass383.32
IUPAC Name(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
SMILESNC(N)=NCCCCCC/N=C(N)/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C16H37N11/c17-13(18)23-9-5-1-3-7-11-25-15(21)27-16(22)26-12-8-4-2-6-10-24-14(19)20/h1-12H2,(H4,17,18,23)(H4,19,20,24)(H5,21,22,25,26,27)
InChIKeyRCNDQROBXCUVKW-UHFFFAOYSA-N
XLogP-1.13
TPSA217.59 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.55
LogP ≤ 5-1.13
H-Bond Donors ≤ 57
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

N'-[6-[[(E)-N'-[N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]carbamimidoyl]carbamimidoyl]amino]hexyl]ethanimidamide;hydrochloride
CID 176529888
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
(1E)-1-[amino-[6-[[amino-[(E)-[amino-(cyanoamino)methylidene]amino]methylidene]amino]hexylamino]methylidene]-2-isocyanoguanidine
CID 176525520
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
1,1,3-tris[6-[[N'-(cyclopropylmethyl)carbamimidoyl]amino]hexyl]-3-[6-(diaminomethylideneamino)hexyl]urea
CID 155523273
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine?
The IUPAC name of (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine (CID 176538744) is (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine.
What is the SMILES notation for (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine?
The canonical SMILES for (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine is NC(N)=NCCCCCC/N=C(N)/N=C(\N)NCCCCCCN=C(N)N.
What is the InChIKey of (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine?
The InChIKey is RCNDQROBXCUVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N11/c17-13(18)23-9-5-1-3-7-11-25-15(21)27-16(22)26-12-8-4-2-6-10-24-14(19)20/h1-12H2,(H4,17,18,23)(H4,19,20,24)(H5,21,22,25,26,27).
What are the key properties of (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine?
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine has a molecular weight of 383.55 g/mol, XLogP of -1.13, 14 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine is sourced from PubChem (CID 176538744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).