2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine

C16H25N5 — CID 176528162

IUPAC2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(CCCCCC)C12C3C4C5C3C1C5C42
InChIInChI=1S/C16H25N5/c1-2-3-4-5-6-21(15(19)20-14(17)18)16-11-8-7-9(11)13(16)10(7)12(8)16/h7-13H,2-6H2,1H3,(H5,17,18,19,20)
InChIKeyGAZFYGNKJLWTHL-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.20
Rot. Bonds6

About 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine

2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine (PubChem CID 176528162) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine
PubChem CID176528162
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(CCCCCC)C12C3C4C5C3C1C5C42
InChIInChI=1S/C16H25N5/c1-2-3-4-5-6-21(15(19)20-14(17)18)16-11-8-7-9(11)13(16)10(7)12(8)16/h7-13H,2-6H2,1H3,(H5,17,18,19,20)
InChIKeyGAZFYGNKJLWTHL-UHFFFAOYSA-N
XLogP1.20
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
CID 176518115
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
1-butyl-1-tert-butyl-2-carbamimidoylguanidine
CID 176525602
1-tert-butyl-2-carbamimidoyl-1-propylguanidine
CID 176525603
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
CID 176546682
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
1-dodecyl-1-pentylguanidine
CID 88762865
1,1-didodecylguanidine
CID 23103902
(N'-carbamimidoylcarbamimidoyl)-hexylazanium chloride
CID 20976
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine?
The IUPAC name of 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine (CID 176528162) is 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine.
What is the SMILES notation for 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine?
The canonical SMILES for 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine is [H]/N=C(N)/N=C(\N)N(CCCCCC)C12C3C4C5C3C1C5C42.
What is the InChIKey of 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine?
The InChIKey is GAZFYGNKJLWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-3-4-5-6-21(15(19)20-14(17)18)16-11-8-7-9(11)13(16)10(7)12(8)16/h7-13H,2-6H2,1H3,(H5,17,18,19,20).
What are the key properties of 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine?
2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine has a molecular weight of 287.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-cuban-1-yl-1-hexylguanidine is sourced from PubChem (CID 176528162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).