1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine

C11H25N5 — CID 176539764

IUPAC1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCC(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)7-5-4-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H6,12,13,14,15,16)
InChIKeyXCKLPQAWNRNPFZ-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.39
Rot. Bonds5

About 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine

1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine (PubChem CID 176539764) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine
PubChem CID176539764
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCC(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)7-5-4-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H6,12,13,14,15,16)
InChIKeyXCKLPQAWNRNPFZ-UHFFFAOYSA-N
XLogP1.39
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.39
H-Bond Donors ≤ 54
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-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine (CID 176539764) is 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCCCCC(C)(C)C.
What is the InChIKey of 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine?
The InChIKey is XCKLPQAWNRNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-11(2,3)7-5-4-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H6,12,13,14,15,16).
What are the key properties of 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine?
1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine has a molecular weight of 227.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(6,6-dimethylheptyl)guanidine is sourced from PubChem (CID 176539764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).