3-(diaminomethylidene)-1-ethyl-1-phenylguanidine

C10H15N5 — CID 2943065

IUPAC3-(diaminomethylidene)-1-ethyl-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1ccccc1
InChIInChI=1S/C10H15N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,11,12,13,14)
InChIKeyKZZXOYFLVCIWCW-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.72
Rot. Bonds2

About 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine

3-(diaminomethylidene)-1-ethyl-1-phenylguanidine (PubChem CID 2943065) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-ethyl-1-phenylguanidine
PubChem CID2943065
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name3-(diaminomethylidene)-1-ethyl-1-phenylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1ccccc1
InChIInChI=1S/C10H15N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,11,12,13,14)
InChIKeyKZZXOYFLVCIWCW-UHFFFAOYSA-N
XLogP0.72
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine (CID 2943065) is 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine is [H]/N=C(\N=C(N)N)N(CC)c1ccccc1.
What is the InChIKey of 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine?
The InChIKey is KZZXOYFLVCIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-2-15(10(13)14-9(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H5,11,12,13,14).
What are the key properties of 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine?
3-(diaminomethylidene)-1-ethyl-1-phenylguanidine has a molecular weight of 205.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-ethyl-1-phenylguanidine is sourced from PubChem (CID 2943065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).