1-cyano-2-methyl-3-phenylguanidine;ethane

C15H28N4 — CID 90945142

IUPAC1-cyano-2-methyl-3-phenylguanidine;ethane
SMILESC/N=C(\NC#N)Nc1ccccc1.CC.CC.CC
InChIInChI=1S/C9H10N4.3C2H6/c1-11-9(12-7-10)13-8-5-3-2-4-6-8;3*1-2/h2-6H,1H3,(H2,11,12,13);3*1-2H3
InChIKeyLUNRZQBPUIGUSR-UHFFFAOYSA-N
MW264.42 g/mol
LogP4.23
Rot. Bonds1

About 1-cyano-2-methyl-3-phenylguanidine;ethane

1-cyano-2-methyl-3-phenylguanidine;ethane (PubChem CID 90945142) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-phenylguanidine;ethane.

Molecular Properties

Compound Name1-cyano-2-methyl-3-phenylguanidine;ethane
PubChem CID90945142
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cyano-2-methyl-3-phenylguanidine;ethane
SMILESC/N=C(\NC#N)Nc1ccccc1.CC.CC.CC
InChIInChI=1S/C9H10N4.3C2H6/c1-11-9(12-7-10)13-8-5-3-2-4-6-8;3*1-2/h2-6H,1H3,(H2,11,12,13);3*1-2H3
InChIKeyLUNRZQBPUIGUSR-UHFFFAOYSA-N
XLogP4.23
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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-cyano-2-methyl-3-phenylguanidine;ethane?
The IUPAC name of 1-cyano-2-methyl-3-phenylguanidine;ethane (CID 90945142) is 1-cyano-2-methyl-3-phenylguanidine;ethane.
What is the SMILES notation for 1-cyano-2-methyl-3-phenylguanidine;ethane?
The canonical SMILES for 1-cyano-2-methyl-3-phenylguanidine;ethane is C/N=C(\NC#N)Nc1ccccc1.CC.CC.CC.
What is the InChIKey of 1-cyano-2-methyl-3-phenylguanidine;ethane?
The InChIKey is LUNRZQBPUIGUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.3C2H6/c1-11-9(12-7-10)13-8-5-3-2-4-6-8;3*1-2/h2-6H,1H3,(H2,11,12,13);3*1-2H3.
What are the key properties of 1-cyano-2-methyl-3-phenylguanidine;ethane?
1-cyano-2-methyl-3-phenylguanidine;ethane has a molecular weight of 264.42 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-phenylguanidine;ethane is sourced from PubChem (CID 90945142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).