1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid

C8H21N7O3 — CID 176530052

IUPAC1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.HNO3/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;2-1(3)4/h1-6H2,(H4,9,10,13)(H4,11,12,14);(H,2,3,4)
InChIKeyVNYLKBNKTVRZIC-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.04
Rot. Bonds7

About 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid

1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid (PubChem CID 176530052) has the molecular formula C8H21N7O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid.

Molecular Properties

Compound Name1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
PubChem CID176530052
Molecular FormulaC8H21N7O3
Molecular Weight263.30 g/mol
Exact Mass263.17
IUPAC Name1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.HNO3/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;2-1(3)4/h1-6H2,(H4,9,10,13)(H4,11,12,14);(H,2,3,4)
InChIKeyVNYLKBNKTVRZIC-UHFFFAOYSA-N
XLogP-1.04
TPSA189.67 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid 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

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
CID 176532250
CID 176532250
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-(9-carbamimidamidononyl)guanidine
CID 176533990
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-(4-nitramidobutyl)guanidine;hydrobromide
CID 86742058
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
1-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine;tris(2-prop-2-enylbenzenesulfonic acid)
CID 176528703

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid?
The IUPAC name of 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid (CID 176530052) is 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid.
What is the SMILES notation for 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid?
The canonical SMILES for 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)NCCCCCCN=C(N)N.
What is the InChIKey of 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid?
The InChIKey is VNYLKBNKTVRZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6.HNO3/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;2-1(3)4/h1-6H2,(H4,9,10,13)(H4,11,12,14);(H,2,3,4).
What are the key properties of 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid?
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid has a molecular weight of 263.30 g/mol, XLogP of -1.04, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid is sourced from PubChem (CID 176530052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).