1-(6-carbamimidamidohexyl)guanidine

C8H20N6 — CID 176533992

IUPAC1-(6-carbamimidamidohexyl)guanidine
SMILES[H]/N=C(\N)NCCCCCCN/C(N)=N/[H]
InChIInChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyWBLYUCKTWSGGBI-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.49
Rot. Bonds7

About 1-(6-carbamimidamidohexyl)guanidine

1-(6-carbamimidamidohexyl)guanidine (PubChem CID 176533992) has the molecular formula C8H20N6 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(6-carbamimidamidohexyl)guanidine.

Molecular Properties

Compound Name1-(6-carbamimidamidohexyl)guanidine
PubChem CID176533992
Molecular FormulaC8H20N6
Molecular Weight200.29 g/mol
Exact Mass200.17
IUPAC Name1-(6-carbamimidamidohexyl)guanidine
SMILES[H]/N=C(\N)NCCCCCCN/C(N)=N/[H]
InChIInChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyWBLYUCKTWSGGBI-UHFFFAOYSA-N
XLogP-0.49
TPSA123.80 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.49
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamimidamidohexyl)guanidine?
The IUPAC name of 1-(6-carbamimidamidohexyl)guanidine (CID 176533992) is 1-(6-carbamimidamidohexyl)guanidine.
What is the SMILES notation for 1-(6-carbamimidamidohexyl)guanidine?
The canonical SMILES for 1-(6-carbamimidamidohexyl)guanidine is [H]/N=C(\N)NCCCCCCN/C(N)=N/[H].
What is the InChIKey of 1-(6-carbamimidamidohexyl)guanidine?
The InChIKey is WBLYUCKTWSGGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14).
What are the key properties of 1-(6-carbamimidamidohexyl)guanidine?
1-(6-carbamimidamidohexyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.49, 7 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamimidamidohexyl)guanidine is sourced from PubChem (CID 176533992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).