1-carbamimidoyl-1-ethyl-2-phenylguanidine

C10H15N5 — CID 175345301

IUPAC1-carbamimidoyl-1-ethyl-2-phenylguanidine
SMILES[H]/N=C(\N)N(CC)/C(N)=N/c1ccccc1
InChIInChI=1S/C10H15N5/c1-2-15(9(11)12)10(13)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyUUDBQWVZDWDEGE-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.85
Rot. Bonds2

About 1-carbamimidoyl-1-ethyl-2-phenylguanidine

1-carbamimidoyl-1-ethyl-2-phenylguanidine (PubChem CID 175345301) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1-carbamimidoyl-1-ethyl-2-phenylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1-ethyl-2-phenylguanidine
PubChem CID175345301
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name1-carbamimidoyl-1-ethyl-2-phenylguanidine
SMILES[H]/N=C(\N)N(CC)/C(N)=N/c1ccccc1
InChIInChI=1S/C10H15N5/c1-2-15(9(11)12)10(13)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12)(H2,13,14)
InChIKeyUUDBQWVZDWDEGE-UHFFFAOYSA-N
XLogP0.85
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
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-carbamimidoyl-1-ethyl-2-phenylguanidine?
The IUPAC name of 1-carbamimidoyl-1-ethyl-2-phenylguanidine (CID 175345301) is 1-carbamimidoyl-1-ethyl-2-phenylguanidine.
What is the SMILES notation for 1-carbamimidoyl-1-ethyl-2-phenylguanidine?
The canonical SMILES for 1-carbamimidoyl-1-ethyl-2-phenylguanidine is [H]/N=C(\N)N(CC)/C(N)=N/c1ccccc1.
What is the InChIKey of 1-carbamimidoyl-1-ethyl-2-phenylguanidine?
The InChIKey is UUDBQWVZDWDEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-2-15(9(11)12)10(13)14-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,11,12)(H2,13,14).
What are the key properties of 1-carbamimidoyl-1-ethyl-2-phenylguanidine?
1-carbamimidoyl-1-ethyl-2-phenylguanidine has a molecular weight of 205.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-ethyl-2-phenylguanidine is sourced from PubChem (CID 175345301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).