1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine

C11H25N7 — CID 176526206

IUPAC1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C11H25N7/c1-3-5-6-8(4-2)7-16-10(14)18-11(15)17-9(12)13/h8H,3-7H2,1-2H3,(H8,12,13,14,15,16,17,18)
InChIKeyHZZAEWLTBRYNQP-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.32
Rot. Bonds6

About 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine

1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine (PubChem CID 176526206) has the molecular formula C11H25N7 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine
PubChem CID176526206
Molecular FormulaC11H25N7
Molecular Weight255.37 g/mol
Exact Mass255.22
IUPAC Name1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine
SMILES[H]/N=C(\N=C(N)N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C11H25N7/c1-3-5-6-8(4-2)7-16-10(14)18-11(15)17-9(12)13/h8H,3-7H2,1-2H3,(H8,12,13,14,15,16,17,18)
InChIKeyHZZAEWLTBRYNQP-UHFFFAOYSA-N
XLogP0.32
TPSA138.66 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine (CID 176526206) is 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine is [H]/N=C(\N=C(N)N)N/C(N)=N/CC(CC)CCCC.
What is the InChIKey of 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine?
The InChIKey is HZZAEWLTBRYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N7/c1-3-5-6-8(4-2)7-16-10(14)18-11(15)17-9(12)13/h8H,3-7H2,1-2H3,(H8,12,13,14,15,16,17,18).
What are the key properties of 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine?
1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine has a molecular weight of 255.37 g/mol, XLogP of 0.32, 6 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-[N'-(2-ethylhexyl)carbamimidoyl]guanidine is sourced from PubChem (CID 176526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).