ethane;1-ethenyl-1,2,3-trimethylguanidine

C10H25N3 — CID 170952169

IUPACethane;1-ethenyl-1,2,3-trimethylguanidine
SMILESC=CN(C)/C(=N\C)NC.CC.CC
InChIInChI=1S/C6H13N3.2C2H6/c1-5-9(4)6(7-2)8-3;2*1-2/h5H,1H2,2-4H3,(H,7,8);2*1-2H3
InChIKeyGBMROGKLILJEFQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds1

About ethane;1-ethenyl-1,2,3-trimethylguanidine

ethane;1-ethenyl-1,2,3-trimethylguanidine (PubChem CID 170952169) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-ethenyl-1,2,3-trimethylguanidine.

Molecular Properties

Compound Nameethane;1-ethenyl-1,2,3-trimethylguanidine
PubChem CID170952169
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Nameethane;1-ethenyl-1,2,3-trimethylguanidine
SMILESC=CN(C)/C(=N\C)NC.CC.CC
InChIInChI=1S/C6H13N3.2C2H6/c1-5-9(4)6(7-2)8-3;2*1-2/h5H,1H2,2-4H3,(H,7,8);2*1-2H3
InChIKeyGBMROGKLILJEFQ-UHFFFAOYSA-N
XLogP2.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 ethane;1-ethenyl-1,2,3-trimethylguanidine?
The IUPAC name of ethane;1-ethenyl-1,2,3-trimethylguanidine (CID 170952169) is ethane;1-ethenyl-1,2,3-trimethylguanidine.
What is the SMILES notation for ethane;1-ethenyl-1,2,3-trimethylguanidine?
The canonical SMILES for ethane;1-ethenyl-1,2,3-trimethylguanidine is C=CN(C)/C(=N\C)NC.CC.CC.
What is the InChIKey of ethane;1-ethenyl-1,2,3-trimethylguanidine?
The InChIKey is GBMROGKLILJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.2C2H6/c1-5-9(4)6(7-2)8-3;2*1-2/h5H,1H2,2-4H3,(H,7,8);2*1-2H3.
What are the key properties of ethane;1-ethenyl-1,2,3-trimethylguanidine?
ethane;1-ethenyl-1,2,3-trimethylguanidine has a molecular weight of 187.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-1,2,3-trimethylguanidine is sourced from PubChem (CID 170952169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).