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

C10H19N5 — CID 143219844

IUPAC2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(=C)NC)CC1
InChIInChI=1S/C10H19N5/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3/h9,12H,1,3-7H2,2H3,(H2,11,14)
InChIKeyMZBDDHMRBSSBTH-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.16
Rot. Bonds3

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

2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine (PubChem CID 143219844) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine.

Molecular Properties

Compound Name2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
PubChem CID143219844
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
SMILESC=N/C(N)=N\C1CCN(C(=C)NC)CC1
InChIInChI=1S/C10H19N5/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3/h9,12H,1,3-7H2,2H3,(H2,11,14)
InChIKeyMZBDDHMRBSSBTH-UHFFFAOYSA-N
XLogP0.16
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.16
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 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The IUPAC name of 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine (CID 143219844) is 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine.
What is the SMILES notation for 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The canonical SMILES for 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine is C=N/C(N)=N\C1CCN(C(=C)NC)CC1.
What is the InChIKey of 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
The InChIKey is MZBDDHMRBSSBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(12-2)15-6-4-9(5-7-15)14-10(11)13-3/h9,12H,1,3-7H2,2H3,(H2,11,14).
What are the key properties of 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine?
2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine has a molecular weight of 209.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine is sourced from PubChem (CID 143219844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).