ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine

C12H25N5 — CID 143219843

IUPACethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(=C)NC)CC1.CC
InChIInChI=1S/C10H19N5.C2H6/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3;1-2/h9,12H,1,3-7H2,2H3,(H2,11,14);1-2H3
InChIKeyJUAGDSFODVKVER-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.18
Rot. Bonds3

About ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine

ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine (PubChem CID 143219843) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine.

Molecular Properties

Compound Nameethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
PubChem CID143219843
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Nameethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(=C)NC)CC1.CC
InChIInChI=1S/C10H19N5.C2H6/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3;1-2/h9,12H,1,3-7H2,2H3,(H2,11,14);1-2H3
InChIKeyJUAGDSFODVKVER-UHFFFAOYSA-N
XLogP1.18
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The IUPAC name of ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine (CID 143219843) is ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine.
What is the SMILES notation for ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The canonical SMILES for ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine is C=N/C(N)=N\C1CCN(C(=C)NC)CC1.CC.
What is the InChIKey of ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The InChIKey is JUAGDSFODVKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.C2H6/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3;1-2/h9,12H,1,3-7H2,2H3,(H2,11,14);1-2H3.
What are the key properties of ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine has a molecular weight of 239.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine is sourced from PubChem (CID 143219843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).