1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine

C9H28N18 — CID 176518855

IUPAC1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)NCCN=C(N)N.[H]N=C(N=C(N)N)N=C(N)N
InChIInChI=1S/C4H12N6.C3H9N7.C2H7N5/c5-3(6)9-1-2-10-4(7)8;4-1(5)9-3(8)10-2(6)7;3-1(4)7-2(5)6/h1-2H2,(H4,5,6,9)(H4,7,8,10);(H9,4,5,6,7,8,9,10);(H7,3,4,5,6,7)
InChIKeyDSZNUXQDIKCJCA-UHFFFAOYSA-N
MW388.45 g/mol
LogP-6.43
Rot. Bonds3

About 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine

1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine (PubChem CID 176518855) has the molecular formula C9H28N18 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine.

Molecular Properties

Compound Name1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
PubChem CID176518855
Molecular FormulaC9H28N18
Molecular Weight388.45 g/mol
Exact Mass388.27
IUPAC Name1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)NCCN=C(N)N.[H]N=C(N=C(N)N)N=C(N)N
InChIInChI=1S/C4H12N6.C3H9N7.C2H7N5/c5-3(6)9-1-2-10-4(7)8;4-1(5)9-3(8)10-2(6)7;3-1(4)7-2(5)6/h1-2H2,(H4,5,6,9)(H4,7,8,10);(H9,4,5,6,7,8,9,10);(H7,3,4,5,6,7)
InChIKeyDSZNUXQDIKCJCA-UHFFFAOYSA-N
XLogP-6.43
TPSA390.72 Ų
H-Bond Donors15
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 5-6.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 105

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-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
CID 176532250
CID 176532250
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
1-carbamimidoylguanidine;methane
CID 176544517
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-(9-carbamimidamidononyl)guanidine
CID 176533990
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine?
The IUPAC name of 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine (CID 176518855) is 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine.
What is the SMILES notation for 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine?
The canonical SMILES for 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine is [H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)NCCN=C(N)N.[H]N=C(N=C(N)N)N=C(N)N.
What is the InChIKey of 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine?
The InChIKey is DSZNUXQDIKCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N6.C3H9N7.C2H7N5/c5-3(6)9-1-2-10-4(7)8;4-1(5)9-3(8)10-2(6)7;3-1(4)7-2(5)6/h1-2H2,(H4,5,6,9)(H4,7,8,10);(H9,4,5,6,7,8,9,10);(H7,3,4,5,6,7).
What are the key properties of 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine?
1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine has a molecular weight of 388.45 g/mol, XLogP of -6.43, 3 rotatable bonds, 15 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine is sourced from PubChem (CID 176518855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).