ethane;1-ethenyl-2-methyl-3-methylideneguanidine

C7H15N3 — CID 144523993

IUPACethane;1-ethenyl-2-methyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/C.CC
InChIInChI=1S/C5H9N3.C2H6/c1-4-8-5(6-2)7-3;1-2/h4H,1-2H2,3H3,(H,7,8);1-2H3
InChIKeyLNMVNRMWWVHDGF-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.43
Rot. Bonds1

About ethane;1-ethenyl-2-methyl-3-methylideneguanidine

ethane;1-ethenyl-2-methyl-3-methylideneguanidine (PubChem CID 144523993) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is ethane;1-ethenyl-2-methyl-3-methylideneguanidine.

Molecular Properties

Compound Nameethane;1-ethenyl-2-methyl-3-methylideneguanidine
PubChem CID144523993
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Nameethane;1-ethenyl-2-methyl-3-methylideneguanidine
SMILESC=CN/C(N=C)=N/C.CC
InChIInChI=1S/C5H9N3.C2H6/c1-4-8-5(6-2)7-3;1-2/h4H,1-2H2,3H3,(H,7,8);1-2H3
InChIKeyLNMVNRMWWVHDGF-UHFFFAOYSA-N
XLogP1.43
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.43
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-2-methyl-3-methylideneguanidine?
The IUPAC name of ethane;1-ethenyl-2-methyl-3-methylideneguanidine (CID 144523993) is ethane;1-ethenyl-2-methyl-3-methylideneguanidine.
What is the SMILES notation for ethane;1-ethenyl-2-methyl-3-methylideneguanidine?
The canonical SMILES for ethane;1-ethenyl-2-methyl-3-methylideneguanidine is C=CN/C(N=C)=N/C.CC.
What is the InChIKey of ethane;1-ethenyl-2-methyl-3-methylideneguanidine?
The InChIKey is LNMVNRMWWVHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C2H6/c1-4-8-5(6-2)7-3;1-2/h4H,1-2H2,3H3,(H,7,8);1-2H3.
What are the key properties of ethane;1-ethenyl-2-methyl-3-methylideneguanidine?
ethane;1-ethenyl-2-methyl-3-methylideneguanidine has a molecular weight of 141.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-methyl-3-methylideneguanidine is sourced from PubChem (CID 144523993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).