1-(9-carbamimidamidononyl)guanidine

C11H26N6 — CID 176533990

IUPAC1-(9-carbamimidamidononyl)guanidine
SMILES[H]/N=C(\N)NCCCCCCCCCN/C(N)=N/[H]
InChIInChI=1S/C11H26N6/c12-10(13)16-8-6-4-2-1-3-5-7-9-17-11(14)15/h1-9H2,(H4,12,13,16)(H4,14,15,17)
InChIKeyNEMPOWLBSPRZFQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.68
Rot. Bonds10

About 1-(9-carbamimidamidononyl)guanidine

1-(9-carbamimidamidononyl)guanidine (PubChem CID 176533990) has the molecular formula C11H26N6 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(9-carbamimidamidononyl)guanidine.

Molecular Properties

Compound Name1-(9-carbamimidamidononyl)guanidine
PubChem CID176533990
Molecular FormulaC11H26N6
Molecular Weight242.37 g/mol
Exact Mass242.22
IUPAC Name1-(9-carbamimidamidononyl)guanidine
SMILES[H]/N=C(\N)NCCCCCCCCCN/C(N)=N/[H]
InChIInChI=1S/C11H26N6/c12-10(13)16-8-6-4-2-1-3-5-7-9-17-11(14)15/h1-9H2,(H4,12,13,16)(H4,14,15,17)
InChIKeyNEMPOWLBSPRZFQ-UHFFFAOYSA-N
XLogP0.68
TPSA123.80 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.37
LogP ≤ 50.68
H-Bond Donors ≤ 56
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-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
CID 176532250
CID 176532250
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-carbamimidamidoethyl carbamimidothioate;dihydrobromide
CID 176518669
1-[3-[(1-amino-4,5-dihydroimidazol-2-yl)amino]propyl]guanidine
CID 176528848
2-[8-(8-carbamimidamidooctylamino)octyl]-1-prop-2-ynylguanidine;tris(2,2,2-trifluoroacetic acid)
CID 176541692
1-butyl-3-carbamimidoyl-2-methylguanidine
CID 176533702

Frequently Asked Questions

What is the IUPAC name of 1-(9-carbamimidamidononyl)guanidine?
The IUPAC name of 1-(9-carbamimidamidononyl)guanidine (CID 176533990) is 1-(9-carbamimidamidononyl)guanidine.
What is the SMILES notation for 1-(9-carbamimidamidononyl)guanidine?
The canonical SMILES for 1-(9-carbamimidamidononyl)guanidine is [H]/N=C(\N)NCCCCCCCCCN/C(N)=N/[H].
What is the InChIKey of 1-(9-carbamimidamidononyl)guanidine?
The InChIKey is NEMPOWLBSPRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N6/c12-10(13)16-8-6-4-2-1-3-5-7-9-17-11(14)15/h1-9H2,(H4,12,13,16)(H4,14,15,17).
What are the key properties of 1-(9-carbamimidamidononyl)guanidine?
1-(9-carbamimidamidononyl)guanidine has a molecular weight of 242.37 g/mol, XLogP of 0.68, 10 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-carbamimidamidononyl)guanidine is sourced from PubChem (CID 176533990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).