1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride

C14H36Cl4N6 — CID 176518301

IUPAC1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.[H]/N=C(\N)NCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C14H32N6.4ClH/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18;;;;/h1-12H2,(H4,15,16,19)(H4,17,18,20);4*1H
InChIKeyPPEUFZOGUIYYGI-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.33
Rot. Bonds13

About 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride (PubChem CID 176518301) has the molecular formula C14H36Cl4N6 and a molecular weight of 430.30 g/mol. Its IUPAC name is 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride.

Molecular Properties

Compound Name1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
PubChem CID176518301
Molecular FormulaC14H36Cl4N6
Molecular Weight430.30 g/mol
Exact Mass428.18
IUPAC Name1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.[H]/N=C(\N)NCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C14H32N6.4ClH/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18;;;;/h1-12H2,(H4,15,16,19)(H4,17,18,20);4*1H
InChIKeyPPEUFZOGUIYYGI-UHFFFAOYSA-N
XLogP3.33
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.33
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-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
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-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride?
The IUPAC name of 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride (CID 176518301) is 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride.
What is the SMILES notation for 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride?
The canonical SMILES for 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride is Cl.Cl.Cl.Cl.[H]/N=C(\N)NCCCCCCCCCCCCN=C(N)N.
What is the InChIKey of 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride?
The InChIKey is PPEUFZOGUIYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N6.4ClH/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18;;;;/h1-12H2,(H4,15,16,19)(H4,17,18,20);4*1H.
What are the key properties of 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride?
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride has a molecular weight of 430.30 g/mol, XLogP of 3.33, 13 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride is sourced from PubChem (CID 176518301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).