1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride

C12H30Cl2N6 — CID 176533607

IUPAC1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
SMILES[Cl-].[Cl-].[H+].[H+].[H]/N=C(\N)NCCCCCCCCCCN=C(N)N
InChIInChI=1S/C12H28N6.2ClH/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16;;/h1-10H2,(H4,13,14,17)(H4,15,16,18);2*1H
InChIKeyHJJOBGICUREWHC-UHFFFAOYSA-N
MW329.32 g/mol
LogP-4.90
Rot. Bonds11

About 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride

1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride (PubChem CID 176533607) has the molecular formula C12H30Cl2N6 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride.

Molecular Properties

Compound Name1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
PubChem CID176533607
Molecular FormulaC12H30Cl2N6
Molecular Weight329.32 g/mol
Exact Mass328.19
IUPAC Name1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
SMILES[Cl-].[Cl-].[H+].[H+].[H]/N=C(\N)NCCCCCCCCCCN=C(N)N
InChIInChI=1S/C12H28N6.2ClH/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16;;/h1-10H2,(H4,13,14,17)(H4,15,16,18);2*1H
InChIKeyHJJOBGICUREWHC-UHFFFAOYSA-N
XLogP-4.90
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 5-4.90
H-Bond Donors ≤ 55
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'}

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Related Compounds

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
CID 176532250
CID 176532250
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-(9-carbamimidamidononyl)guanidine
CID 176533990
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 176518855
1-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine;tris(2-prop-2-enylbenzenesulfonic acid)
CID 176528703
2-[6-imino-11-(methylamino)undecyl]guanidine
CID 58076497
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022

Frequently Asked Questions

What is the IUPAC name of 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride?
The IUPAC name of 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride (CID 176533607) is 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride.
What is the SMILES notation for 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride?
The canonical SMILES for 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride is [Cl-].[Cl-].[H+].[H+].[H]/N=C(\N)NCCCCCCCCCCN=C(N)N.
What is the InChIKey of 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride?
The InChIKey is HJJOBGICUREWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6.2ClH/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16;;/h1-10H2,(H4,13,14,17)(H4,15,16,18);2*1H.
What are the key properties of 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride?
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride has a molecular weight of 329.32 g/mol, XLogP of -4.90, 11 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride is sourced from PubChem (CID 176533607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).